N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide

C20H16ClNOS — CID 2904145

IUPACN-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(Nc1ccccc1Cl)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H16ClNOS/c21-17-13-7-8-14-18(17)22-20(23)19(15-9-3-1-4-10-15)24-16-11-5-2-6-12-16/h1-14,19H,(H,22,23)
InChIKeyUUSINBDCVHACIR-UHFFFAOYSA-N
MW353.87 g/mol
LogP5.81
Rot. Bonds5

About N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide

N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2904145) has the molecular formula C20H16ClNOS and a molecular weight of 353.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2904145
Molecular FormulaC20H16ClNOS
Molecular Weight353.87 g/mol
Exact Mass353.06
IUPAC NameN-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(Nc1ccccc1Cl)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H16ClNOS/c21-17-13-7-8-14-18(17)22-20(23)19(15-9-3-1-4-10-15)24-16-11-5-2-6-12-16/h1-14,19H,(H,22,23)
InChIKeyUUSINBDCVHACIR-UHFFFAOYSA-N
XLogP5.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.87
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea
CID 17374997
N-(2-hydroxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 42918814
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide
CID 23100906
(E)-4-[3-[2-(2-chloroanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 18896916
2,4-dichloro-N-[4-[2-(2-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 21169072
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
8-[[4-[2-(2-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22786597
N-[3-[2-(2-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 18903168
N-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16573615
1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
(2R)-N-(5-chloro-2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 1371327

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide (CID 2904145) is N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide is O=C(Nc1ccccc1Cl)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is UUSINBDCVHACIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNOS/c21-17-13-7-8-14-18(17)22-20(23)19(15-9-3-1-4-10-15)24-16-11-5-2-6-12-16/h1-14,19H,(H,22,23).
What are the key properties of N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide?
N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 353.87 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2904145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).