(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide

C20H25NO3S — CID 55373046

IUPAC(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)N(CC)Cc2cccs2)cc1OCC
InChIInChI=1S/C20H25NO3S/c1-4-21(15-17-8-7-13-25-17)20(22)12-10-16-9-11-18(23-5-2)19(14-16)24-6-3/h7-14H,4-6,15H2,1-3H3/b12-10+
InChIKeyVVDXWHRWULVSMY-ZRDIBKRKSA-N
MW359.49 g/mol
LogP4.61
Rot. Bonds9

About (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide

(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 55373046) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID55373046
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)N(CC)Cc2cccs2)cc1OCC
InChIInChI=1S/C20H25NO3S/c1-4-21(15-17-8-7-13-25-17)20(22)12-10-16-9-11-18(23-5-2)19(14-16)24-6-3/h7-14H,4-6,15H2,1-3H3/b12-10+
InChIKeyVVDXWHRWULVSMY-ZRDIBKRKSA-N
XLogP4.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 122664040
3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801031
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67516260
3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67516247
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide
CID 60592337
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]prop-2-enamide
CID 35605636
N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 123311433
(E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
CID 31837807
(E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134059271
3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603198
N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
CID 78802720
(E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134014371

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 55373046) is (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)N(CC)Cc2cccs2)cc1OCC.
What is the InChIKey of (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is VVDXWHRWULVSMY-ZRDIBKRKSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-4-21(15-17-8-7-13-25-17)20(22)12-10-16-9-11-18(23-5-2)19(14-16)24-6-3/h7-14H,4-6,15H2,1-3H3/b12-10+.
What are the key properties of (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 359.49 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 55373046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).