(E)-N-ethyl-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxy-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)prop-2-enamide

C171H186N14O19S12 — CID 157358448

IUPAC(E)-N-ethyl-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxy-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCCN(Cc1cccs1)C(=O)/C=C/c1ccc(C)s1.CCN(Cc1cccs1)C(=O)/C=C/c1ccc(O)cc1.CCN(Cc1cccs1)C(=O)/C=C/c1ccc(OC)c(O)c1.CCN(Cc1cccs1)C(=O)/C=C/c1ccc(OC)cc1.CCN(Cc1cccs1)C(=O)/C=C/c1cccc(O)c1.CCN(Cc1cccs1)C(=O)/C=C/c1ccccc1OC.CCN(Cc1cccs1)C(=O)/C=C/c1ccccn1.CCN(Cc1cccs1)C(=O)/C=C/c1cccnc1.CCN(Cc1cccs1)C(=O)/C=C/c1ccco1.CCN(Cc1cccs1)C(=O)/C=C/c1ccncc1.CCN(Cc1cccs1)C(=O)/C=C/c1ccoc1
InChIInChI=1S/C17H19NO3S.2C17H19NO2S.2C16H17NO2S.3C15H16N2OS.C15H17NOS2.2C14H15NO2S/c1-3-18(12-14-5-4-10-22-14)17(20)9-7-13-6-8-16(21-2)15(19)11-13;1-3-18(13-16-5-4-12-21-16)17(19)11-8-14-6-9-15(20-2)10-7-14;1-3-18(13-15-8-6-12-21-15)17(19)11-10-14-7-4-5-9-16(14)20-2;1-2-17(12-15-7-4-10-20-15)16(19)9-8-13-5-3-6-14(18)11-13;1-2-17(12-15-4-3-11-20-15)16(19)10-7-13-5-8-14(18)9-6-13;1-2-17(12-14-6-4-10-19-14)15(18)8-7-13-5-3-9-16-11-13;1-2-17(12-14-4-3-11-19-14)15(18)6-5-13-7-9-16-10-8-13;1-2-17(12-14-7-5-11-19-14)15(18)9-8-13-6-3-4-10-16-13;1-3-16(11-14-5-4-10-18-14)15(17)9-8-13-7-6-12(2)19-13;1-2-15(11-13-6-4-10-18-13)14(16)8-7-12-5-3-9-17-12;1-2-15(10-13-4-3-9-18-13)14(16)6-5-12-7-8-17-11-12/h4-11,19H,3,12H2,1-2H3;2*4-12H,3,13H2,1-2H3;2*3-11,18H,2,12H2,1H3;3*3-11H,2,12H2,1H3;4-10H,3,11H2,1-2H3;3-10H,2,11H2,1H3;3-9,11H,2,10H2,1H3/b9-7+;11-8+;11-10+;9-8+;10-7+;8-7+;6-5+;2*9-8+;8-7+;6-5+
InChIKeyBIIYUKIBPCCHTB-LWBBFMENSA-N
MW3126.25 g/mol
LogP38.79
Rot. Bonds58

About (E)-N-ethyl-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxy-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)prop-2-enamide

(E)-N-ethyl-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxy-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 157358448) has the molecular formula C171H186N14O19S12 and a molecular weight of 3126.25 g/mol. Its IUPAC name is (E)-N-ethyl-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxy-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxy-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID157358448
Molecular FormulaC171H186N14O19S12
Molecular Weight3126.25 g/mol
Exact Mass3123.07
IUPAC Name(E)-N-ethyl-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxy-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCCN(Cc1cccs1)C(=O)/C=C/c1ccc(C)s1.CCN(Cc1cccs1)C(=O)/C=C/c1ccc(O)cc1.CCN(Cc1cccs1)C(=O)/C=C/c1ccc(OC)c(O)c1.CCN(Cc1cccs1)C(=O)/C=C/c1ccc(OC)cc1.CCN(Cc1cccs1)C(=O)/C=C/c1cccc(O)c1.CCN(Cc1cccs1)C(=O)/C=C/c1ccccc1OC.CCN(Cc1cccs1)C(=O)/C=C/c1ccccn1.CCN(Cc1cccs1)C(=O)/C=C/c1cccnc1.CCN(Cc1cccs1)C(=O)/C=C/c1ccco1.CCN(Cc1cccs1)C(=O)/C=C/c1ccncc1.CCN(Cc1cccs1)C(=O)/C=C/c1ccoc1
InChIInChI=1S/C17H19NO3S.2C17H19NO2S.2C16H17NO2S.3C15H16N2OS.C15H17NOS2.2C14H15NO2S/c1-3-18(12-14-5-4-10-22-14)17(20)9-7-13-6-8-16(21-2)15(19)11-13;1-3-18(13-16-5-4-12-21-16)17(19)11-8-14-6-9-15(20-2)10-7-14;1-3-18(13-15-8-6-12-21-15)17(19)11-10-14-7-4-5-9-16(14)20-2;1-2-17(12-15-7-4-10-20-15)16(19)9-8-13-5-3-6-14(18)11-13;1-2-17(12-15-4-3-11-20-15)16(19)10-7-13-5-8-14(18)9-6-13;1-2-17(12-14-6-4-10-19-14)15(18)8-7-13-5-3-9-16-11-13;1-2-17(12-14-4-3-11-19-14)15(18)6-5-13-7-9-16-10-8-13;1-2-17(12-14-7-5-11-19-14)15(18)9-8-13-6-3-4-10-16-13;1-3-16(11-14-5-4-10-18-14)15(17)9-8-13-7-6-12(2)19-13;1-2-15(11-13-6-4-10-18-13)14(16)8-7-12-5-3-9-17-12;1-2-15(10-13-4-3-9-18-13)14(16)6-5-12-7-8-17-11-12/h4-11,19H,3,12H2,1-2H3;2*4-12H,3,13H2,1-2H3;2*3-11,18H,2,12H2,1H3;3*3-11H,2,12H2,1H3;4-10H,3,11H2,1-2H3;3-10H,2,11H2,1H3;3-9,11H,2,10H2,1H3/b9-7+;11-8+;11-10+;9-8+;10-7+;8-7+;6-5+;2*9-8+;8-7+;6-5+
InChIKeyBIIYUKIBPCCHTB-LWBBFMENSA-N
XLogP38.79
TPSA376.74 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds58
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003126.25
LogP ≤ 538.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-ethyl-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxy-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxy-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxy-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 157358448) is (E)-N-ethyl-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxy-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxy-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxy-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)prop-2-enamide is CCN(Cc1cccs1)C(=O)/C=C/c1ccc(C)s1.CCN(Cc1cccs1)C(=O)/C=C/c1ccc(O)cc1.CCN(Cc1cccs1)C(=O)/C=C/c1ccc(OC)c(O)c1.CCN(Cc1cccs1)C(=O)/C=C/c1ccc(OC)cc1.CCN(Cc1cccs1)C(=O)/C=C/c1cccc(O)c1.CCN(Cc1cccs1)C(=O)/C=C/c1ccccc1OC.CCN(Cc1cccs1)C(=O)/C=C/c1ccccn1.CCN(Cc1cccs1)C(=O)/C=C/c1cccnc1.CCN(Cc1cccs1)C(=O)/C=C/c1ccco1.CCN(Cc1cccs1)C(=O)/C=C/c1ccncc1.CCN(Cc1cccs1)C(=O)/C=C/c1ccoc1.
What is the InChIKey of (E)-N-ethyl-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxy-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is BIIYUKIBPCCHTB-LWBBFMENSA-N. The full InChI is InChI=1S/C17H19NO3S.2C17H19NO2S.2C16H17NO2S.3C15H16N2OS.C15H17NOS2.2C14H15NO2S/c1-3-18(12-14-5-4-10-22-14)17(20)9-7-13-6-8-16(21-2)15(19)11-13;1-3-18(13-16-5-4-12-21-16)17(19)11-8-14-6-9-15(20-2)10-7-14;1-3-18(13-15-8-6-12-21-15)17(19)11-10-14-7-4-5-9-16(14)20-2;1-2-17(12-15-7-4-10-20-15)16(19)9-8-13-5-3-6-14(18)11-13;1-2-17(12-15-4-3-11-20-15)16(19)10-7-13-5-8-14(18)9-6-13;1-2-17(12-14-6-4-10-19-14)15(18)8-7-13-5-3-9-16-11-13;1-2-17(12-14-4-3-11-19-14)15(18)6-5-13-7-9-16-10-8-13;1-2-17(12-14-7-5-11-19-14)15(18)9-8-13-6-3-4-10-16-13;1-3-16(11-14-5-4-10-18-14)15(17)9-8-13-7-6-12(2)19-13;1-2-15(11-13-6-4-10-18-13)14(16)8-7-12-5-3-9-17-12;1-2-15(10-13-4-3-9-18-13)14(16)6-5-12-7-8-17-11-12/h4-11,19H,3,12H2,1-2H3;2*4-12H,3,13H2,1-2H3;2*3-11,18H,2,12H2,1H3;3*3-11H,2,12H2,1H3;4-10H,3,11H2,1-2H3;3-10H,2,11H2,1H3;3-9,11H,2,10H2,1H3/b9-7+;11-8+;11-10+;9-8+;10-7+;8-7+;6-5+;2*9-8+;8-7+;6-5+.
What are the key properties of (E)-N-ethyl-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxy-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-N-ethyl-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxy-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 3126.25 g/mol, XLogP of 38.79, 58 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxy-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-(5-methylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-N-ethyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 157358448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).