(E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide

C17H16ClNOS — CID 9482873

IUPAC(E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)NCCSc1ccccc1
InChIInChI=1S/C17H16ClNOS/c18-15-6-4-5-14(13-15)9-10-17(20)19-11-12-21-16-7-2-1-3-8-16/h1-10,13H,11-12H2,(H,19,20)/b10-9+
InChIKeyASIHEQKYFFEBOP-MDZDMXLPSA-N
MW317.84 g/mol
LogP4.26
Rot. Bonds6

About (E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide

(E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide (PubChem CID 9482873) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
PubChem CID9482873
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name(E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)NCCSc1ccccc1
InChIInChI=1S/C17H16ClNOS/c18-15-6-4-5-14(13-15)9-10-17(20)19-11-12-21-16-7-2-1-3-8-16/h1-10,13H,11-12H2,(H,19,20)/b10-9+
InChIKeyASIHEQKYFFEBOP-MDZDMXLPSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(3-nitrophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
CID 2281810
(E)-3-(3-chlorophenyl)-N-[7-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]heptyl]prop-2-enamide
CID 6167041
(E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9259120
4-[3-(3-chlorophenyl)prop-2-enoylamino]butanoic acid
CID 74868291
2-[2-[3-(3-chlorophenyl)prop-2-enoylamino]ethoxy]acetic acid
CID 79457995
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-phenylsulfanylethyl)prop-2-enamide
CID 5350424
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
CID 9482996
3-(4-nitrophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
CID 2873741
3-chloro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108571411
N-methyl-4-[(E)-3-oxo-3-(2-phenylsulfanylethylamino)prop-1-enyl]benzamide
CID 134002494
(E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide
CID 115636575
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide (CID 9482873) is (E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide is O=C(/C=C/c1cccc(Cl)c1)NCCSc1ccccc1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide?
The InChIKey is ASIHEQKYFFEBOP-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H16ClNOS/c18-15-6-4-5-14(13-15)9-10-17(20)19-11-12-21-16-7-2-1-3-8-16/h1-10,13H,11-12H2,(H,19,20)/b10-9+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide has a molecular weight of 317.84 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide is sourced from PubChem (CID 9482873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).