(E)-3-(4-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide

C17H16ClNOS — CID 2174683

IUPAC(E)-3-(4-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NCCSc1ccccc1
InChIInChI=1S/C17H16ClNOS/c18-15-9-6-14(7-10-15)8-11-17(20)19-12-13-21-16-4-2-1-3-5-16/h1-11H,12-13H2,(H,19,20)/b11-8+
InChIKeyPUDSSWYITANFLN-DHZHZOJOSA-N
MW317.84 g/mol
LogP4.26
Rot. Bonds6

About (E)-3-(4-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide

(E)-3-(4-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide (PubChem CID 2174683) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
PubChem CID2174683
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name(E)-3-(4-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NCCSc1ccccc1
InChIInChI=1S/C17H16ClNOS/c18-15-9-6-14(7-10-15)8-11-17(20)19-12-13-21-16-4-2-1-3-5-16/h1-11H,12-13H2,(H,19,20)/b11-8+
InChIKeyPUDSSWYITANFLN-DHZHZOJOSA-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-(4-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

A-350619
CID 11111893
3-(2,4-dichlorophenyl)-N-[2-(phenylthio)ethyl]acrylamide
CID 2283517
2-((bis(4-chlorophenyl)methyl)thio)-N-(3-phenylpropyl)acetamide
CID 76332747
3-(4-chlorophenyl)-N-(2-thienylmethyl)acrylamide
CID 897764
3-(4-chlorophenyl)-N-{2-[(4-methylphenyl)thio]ethyl}acrylamide
CID 2178457
3-(2-chlorophenyl)-N-{2-[(4-methylbenzyl)thio]ethyl}acrylamide
CID 2251340
3-(2-chlorophenyl)-N-{2-[(4-methylphenyl)thio]ethyl}acrylamide
CID 2267239
N-[2-(benzylthio)ethyl]-3-phenylacrylamide
CID 2284565
(E)-3-(3,4-dichlorophenyl)-N-[2-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]ethylsulfanyl]ethyl]prop-2-enamide
CID 44563480
(E)-3-(3,4-dichlorophenyl)-N-[2-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]ethylsulfinyl]ethyl]prop-2-enamide
CID 44563481
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2105395
2-((Bis(4-chlorophenyl)methyl)thio)-N-methylacetamide
CID 76314641

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide (CID 2174683) is (E)-3-(4-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)NCCSc1ccccc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide?
The InChIKey is PUDSSWYITANFLN-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H16ClNOS/c18-15-9-6-14(7-10-15)8-11-17(20)19-12-13-21-16-4-2-1-3-5-16/h1-11H,12-13H2,(H,19,20)/b11-8+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide?
(E)-3-(4-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-(4-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide is sourced from PubChem (CID 2174683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).