N-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide

C21H16ClN3OS — CID 18278497

IUPACN-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide
SMILESN#Cc1ccc(NC(=O)CNc2ccccc2Sc2ccccc2)cc1Cl
InChIInChI=1S/C21H16ClN3OS/c22-18-12-16(11-10-15(18)13-23)25-21(26)14-24-19-8-4-5-9-20(19)27-17-6-2-1-3-7-17/h1-12,24H,14H2,(H,25,26)
InChIKeyAUOHWHPWQZADHA-UHFFFAOYSA-N
MW393.90 g/mol
LogP5.41
Rot. Bonds6

About N-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide

N-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide (PubChem CID 18278497) has the molecular formula C21H16ClN3OS and a molecular weight of 393.90 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide
PubChem CID18278497
Molecular FormulaC21H16ClN3OS
Molecular Weight393.90 g/mol
Exact Mass393.07
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide
SMILESN#Cc1ccc(NC(=O)CNc2ccccc2Sc2ccccc2)cc1Cl
InChIInChI=1S/C21H16ClN3OS/c22-18-12-16(11-10-15(18)13-23)25-21(26)14-24-19-8-4-5-9-20(19)27-17-6-2-1-3-7-17/h1-12,24H,14H2,(H,25,26)
InChIKeyAUOHWHPWQZADHA-UHFFFAOYSA-N
XLogP5.41
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.90
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide
CID 55893081
N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
CID 109008740
N-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide
CID 55728999
N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-phenylsulfanylanilino)acetamide
CID 42068568
N,N-diethyl-4-[[2-(2-phenylsulfanylanilino)acetyl]amino]benzamide
CID 42068550
N-(3-chloro-4-cyanophenyl)-2-[4-(difluoromethoxy)anilino]acetamide
CID 36586008
N-(3-chloro-4-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741182
N-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536925
2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide
CID 54918086
N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 18191756
N-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100613
2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide
CID 16527847

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide (CID 18278497) is N-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide is N#Cc1ccc(NC(=O)CNc2ccccc2Sc2ccccc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide?
The InChIKey is AUOHWHPWQZADHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3OS/c22-18-12-16(11-10-15(18)13-23)25-21(26)14-24-19-8-4-5-9-20(19)27-17-6-2-1-3-7-17/h1-12,24H,14H2,(H,25,26).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide has a molecular weight of 393.90 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide is sourced from PubChem (CID 18278497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).