N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide

C19H20ClNO2S — CID 19299517

IUPACN-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(SCC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H20ClNO2S/c1-2-3-11-19(23)21-14-7-6-8-15(12-14)24-13-18(22)16-9-4-5-10-17(16)20/h4-10,12H,2-3,11,13H2,1H3,(H,21,23)
InChIKeyWLJIZZNGRWJCPS-UHFFFAOYSA-N
MW361.89 g/mol
LogP5.44
Rot. Bonds8

About N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide

N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide (PubChem CID 19299517) has the molecular formula C19H20ClNO2S and a molecular weight of 361.89 g/mol. Its IUPAC name is N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide.

Molecular Properties

Compound NameN-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide
PubChem CID19299517
Molecular FormulaC19H20ClNO2S
Molecular Weight361.89 g/mol
Exact Mass361.09
IUPAC NameN-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(SCC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H20ClNO2S/c1-2-3-11-19(23)21-14-7-6-8-15(12-14)24-13-18(22)16-9-4-5-10-17(16)20/h4-10,12H,2-3,11,13H2,1H3,(H,21,23)
InChIKeyWLJIZZNGRWJCPS-UHFFFAOYSA-N
XLogP5.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.89
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 19299409
N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide
CID 18903057
N-[3-[2-(2-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 18903168
N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]butanamide
CID 18901591
N-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 18903175
N-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide
CID 18903036
N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299392
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide
CID 19318390
N-[3-[2-(4-bromophenyl)-2-oxoethyl]sulfanylphenyl]butanamide
CID 19299435
methyl 2-[3-(butanoylamino)phenyl]sulfanylacetate
CID 19318417
N-[3-(butanoylamino)phenyl]-2-chlorobenzamide
CID 17187534
N-[3-[2-(4-acetamidoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 18903222

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide?
The IUPAC name of N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide (CID 19299517) is N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide.
What is the SMILES notation for N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide?
The canonical SMILES for N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide is CCCCC(=O)Nc1cccc(SCC(=O)c2ccccc2Cl)c1.
What is the InChIKey of N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide?
The InChIKey is WLJIZZNGRWJCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2S/c1-2-3-11-19(23)21-14-7-6-8-15(12-14)24-13-18(22)16-9-4-5-10-17(16)20/h4-10,12H,2-3,11,13H2,1H3,(H,21,23).
What are the key properties of N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide?
N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide has a molecular weight of 361.89 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide is sourced from PubChem (CID 19299517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).