2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide

C20H17ClN2OS — CID 18894387

IUPAC2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide
SMILESNc1cccc(SC(C(=O)Nc2cccc(Cl)c2)c2ccccc2)c1
InChIInChI=1S/C20H17ClN2OS/c21-15-8-4-10-17(12-15)23-20(24)19(14-6-2-1-3-7-14)25-18-11-5-9-16(22)13-18/h1-13,19H,22H2,(H,23,24)
InChIKeyXWKJVFKEHGXTRT-UHFFFAOYSA-N
MW368.89 g/mol
LogP5.39
Rot. Bonds5

About 2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide

2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide (PubChem CID 18894387) has the molecular formula C20H17ClN2OS and a molecular weight of 368.89 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide
PubChem CID18894387
Molecular FormulaC20H17ClN2OS
Molecular Weight368.89 g/mol
Exact Mass368.08
IUPAC Name2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide
SMILESNc1cccc(SC(C(=O)Nc2cccc(Cl)c2)c2ccccc2)c1
InChIInChI=1S/C20H17ClN2OS/c21-15-8-4-10-17(12-15)23-20(24)19(14-6-2-1-3-7-14)25-18-11-5-9-16(22)13-18/h1-13,19H,22H2,(H,23,24)
InChIKeyXWKJVFKEHGXTRT-UHFFFAOYSA-N
XLogP5.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.89
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)sulfanyl-N-(4-bromophenyl)-2-phenylacetamide
CID 18894384
2-[[3-[2-(3-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895765
N-[3-[2-(3-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 18901729
5-[[2-(3-aminophenyl)sulfanyl-2-phenylacetyl]amino]-2-hydroxybenzoic acid
CID 18894447
3-chloro-N-[4-[2-(3-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 23100750
2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 55609795
N-[4-[2-(3-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 22780613
3-chloro-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide
CID 18904951
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904304
2-(3-acetamidophenyl)sulfanyl-N-(2,5-dichlorophenyl)-2-phenylacetamide
CID 18901161

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide?
The IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide (CID 18894387) is 2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide?
The canonical SMILES for 2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide is Nc1cccc(SC(C(=O)Nc2cccc(Cl)c2)c2ccccc2)c1.
What is the InChIKey of 2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide?
The InChIKey is XWKJVFKEHGXTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2OS/c21-15-8-4-10-17(12-15)23-20(24)19(14-6-2-1-3-7-14)25-18-11-5-9-16(22)13-18/h1-13,19H,22H2,(H,23,24).
What are the key properties of 2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide?
2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide has a molecular weight of 368.89 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide is sourced from PubChem (CID 18894387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).