(E)-N-(3-chlorophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide

C19H14ClNOS — CID 7668012

IUPAC(E)-N-(3-chlorophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccccc2)s1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H14ClNOS/c20-15-7-4-8-16(13-15)21-19(22)12-10-17-9-11-18(23-17)14-5-2-1-3-6-14/h1-13H,(H,21,22)/b12-10+
InChIKeyRWZLJBSQIUGGNV-ZRDIBKRKSA-N
MW339.85 g/mol
LogP5.72
Rot. Bonds4

About (E)-N-(3-chlorophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide

(E)-N-(3-chlorophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide (PubChem CID 7668012) has the molecular formula C19H14ClNOS and a molecular weight of 339.85 g/mol. Its IUPAC name is (E)-N-(3-chlorophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chlorophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
PubChem CID7668012
Molecular FormulaC19H14ClNOS
Molecular Weight339.85 g/mol
Exact Mass339.05
IUPAC Name(E)-N-(3-chlorophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccccc2)s1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H14ClNOS/c20-15-7-4-8-16(13-15)21-19(22)12-10-17-9-11-18(23-17)14-5-2-1-3-6-14/h1-13H,(H,21,22)/b12-10+
InChIKeyRWZLJBSQIUGGNV-ZRDIBKRKSA-N
XLogP5.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.85
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(2-thienyl)acetamide
CID 823403
N,5-diphenylthiophene-2-carboxamide
CID 3746437
1-(4-Chlorophenyl)-3-(5-phenylthiophen-2-yl)urea
CID 123128346
1-(4-Chlorophenyl)-3-[3-(5-methylthiophen-2-yl)phenyl]urea
CID 135376632
N-(4'-chloro[1,1'-biphenyl]-4-yl)-2-thiophenecarboxamide
CID 783090
N-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 1347156
N-{2-chloro-4-[(phenylacetyl)amino]phenyl}-2-thiophenecarboxamide
CID 2226693
(E)-3-(3-chlorophenyl)-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 2665698
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide
CID 3132084
N-(3-chlorophenyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide
CID 118716527
N-(5-carbamoyl-2-methylphenyl)-5-(2-chlorophenyl)thiophene-2-carboxamide
CID 155556256
N-(3-chloro-2-methylphenyl)-2-(2-thienyl)acetamide
CID 836206

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chlorophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chlorophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide (CID 7668012) is (E)-N-(3-chlorophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chlorophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chlorophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide is O=C(/C=C/c1ccc(-c2ccccc2)s1)Nc1cccc(Cl)c1.
What is the InChIKey of (E)-N-(3-chlorophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The InChIKey is RWZLJBSQIUGGNV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H14ClNOS/c20-15-7-4-8-16(13-15)21-19(22)12-10-17-9-11-18(23-17)14-5-2-1-3-6-14/h1-13H,(H,21,22)/b12-10+.
What are the key properties of (E)-N-(3-chlorophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
(E)-N-(3-chlorophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide has a molecular weight of 339.85 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chlorophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 7668012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).