2-benzylsulfanyl-N-(4-chlorophenyl)benzamide

C20H16ClNOS — CID 1313702

IUPAC2-benzylsulfanyl-N-(4-chlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccccc1SCc1ccccc1
InChIInChI=1S/C20H16ClNOS/c21-16-10-12-17(13-11-16)22-20(23)18-8-4-5-9-19(18)24-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23)
InChIKeyQABZOOVRZUCMQH-UHFFFAOYSA-N
MW353.87 g/mol
LogP5.88
Rot. Bonds5

About 2-benzylsulfanyl-N-(4-chlorophenyl)benzamide

2-benzylsulfanyl-N-(4-chlorophenyl)benzamide (PubChem CID 1313702) has the molecular formula C20H16ClNOS and a molecular weight of 353.87 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(4-chlorophenyl)benzamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(4-chlorophenyl)benzamide
PubChem CID1313702
Molecular FormulaC20H16ClNOS
Molecular Weight353.87 g/mol
Exact Mass353.06
IUPAC Name2-benzylsulfanyl-N-(4-chlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccccc1SCc1ccccc1
InChIInChI=1S/C20H16ClNOS/c21-16-10-12-17(13-11-16)22-20(23)18-8-4-5-9-19(18)24-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23)
InChIKeyQABZOOVRZUCMQH-UHFFFAOYSA-N
XLogP5.88
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 ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide
CID 11164561
ethyl 4-[(2-benzylsulfanylbenzoyl)amino]-2-chlorobenzoate
CID 28566816
2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 92675622
2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 2233430
N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224527
N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10021972
N-(4-acetamidophenyl)-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 112759144
2-benzylsulfanyl-N-(2,4-dimethylpentan-3-yl)benzamide
CID 19062812
2-benzylsulfanyl-N-ethylbenzamide
CID 894590
2-(2-acetylphenyl)sulfanyl-N-(4-chlorophenyl)acetamide
CID 100753352
N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide
CID 23093763
2-(aminomethyl)-N-(4-chlorophenyl)benzamide
CID 82546810

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(4-chlorophenyl)benzamide?
The IUPAC name of 2-benzylsulfanyl-N-(4-chlorophenyl)benzamide (CID 1313702) is 2-benzylsulfanyl-N-(4-chlorophenyl)benzamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(4-chlorophenyl)benzamide?
The canonical SMILES for 2-benzylsulfanyl-N-(4-chlorophenyl)benzamide is O=C(Nc1ccc(Cl)cc1)c1ccccc1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-(4-chlorophenyl)benzamide?
The InChIKey is QABZOOVRZUCMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNOS/c21-16-10-12-17(13-11-16)22-20(23)18-8-4-5-9-19(18)24-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23).
What are the key properties of 2-benzylsulfanyl-N-(4-chlorophenyl)benzamide?
2-benzylsulfanyl-N-(4-chlorophenyl)benzamide has a molecular weight of 353.87 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(4-chlorophenyl)benzamide is sourced from PubChem (CID 1313702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).