(E)-3-(5-chlorothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]prop-2-enamide

C17H18ClNO2S — CID 24612777

IUPAC(E)-3-(5-chlorothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]prop-2-enamide
SMILESCCOc1ccc(C(C)NC(=O)/C=C/c2ccc(Cl)s2)cc1
InChIInChI=1S/C17H18ClNO2S/c1-3-21-14-6-4-13(5-7-14)12(2)19-17(20)11-9-15-8-10-16(18)22-15/h4-12H,3H2,1-2H3,(H,19,20)/b11-9+
InChIKeyXEYYQLADRCBVQD-PKNBQFBNSA-N
MW335.86 g/mol
LogP4.69
Rot. Bonds6

About (E)-3-(5-chlorothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]prop-2-enamide

(E)-3-(5-chlorothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]prop-2-enamide (PubChem CID 24612777) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is (E)-3-(5-chlorothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-chlorothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]prop-2-enamide
PubChem CID24612777
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name(E)-3-(5-chlorothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]prop-2-enamide
SMILESCCOc1ccc(C(C)NC(=O)/C=C/c2ccc(Cl)s2)cc1
InChIInChI=1S/C17H18ClNO2S/c1-3-21-14-6-4-13(5-7-14)12(2)19-17(20)11-9-15-8-10-16(18)22-15/h4-12H,3H2,1-2H3,(H,19,20)/b11-9+
InChIKeyXEYYQLADRCBVQD-PKNBQFBNSA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide
CID 30384346
(E)-N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 51324943
(E)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92682297
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide
CID 95157068
(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]propanehydrazide
CID 9428471
(E)-3-(5-chlorothiophen-2-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 104818122
(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 94016154
N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-ethoxybenzamide
CID 6020557
(E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9022616
4-[[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]amino]-3-methoxybutanoic acid
CID 103152383
2-ethoxy-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 60706778
(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[1-(4-cyanophenyl)ethyl]prop-2-enamide
CID 55595175

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]prop-2-enamide (CID 24612777) is (E)-3-(5-chlorothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-chlorothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-chlorothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]prop-2-enamide is CCOc1ccc(C(C)NC(=O)/C=C/c2ccc(Cl)s2)cc1.
What is the InChIKey of (E)-3-(5-chlorothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]prop-2-enamide?
The InChIKey is XEYYQLADRCBVQD-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-3-21-14-6-4-13(5-7-14)12(2)19-17(20)11-9-15-8-10-16(18)22-15/h4-12H,3H2,1-2H3,(H,19,20)/b11-9+.
What are the key properties of (E)-3-(5-chlorothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]prop-2-enamide?
(E)-3-(5-chlorothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]prop-2-enamide has a molecular weight of 335.86 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chlorothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 24612777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).