2-(4-chlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide

C21H18ClNOS — CID 2942743

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H18ClNOS/c1-15(25-18-13-11-17(22)12-14-18)21(24)23-20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-15H,1H3,(H,23,24)
InChIKeyPUZBQFZUVOFGBV-UHFFFAOYSA-N
MW367.90 g/mol
LogP6.13
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide

2-(4-chlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide (PubChem CID 2942743) has the molecular formula C21H18ClNOS and a molecular weight of 367.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide
PubChem CID2942743
Molecular FormulaC21H18ClNOS
Molecular Weight367.90 g/mol
Exact Mass367.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H18ClNOS/c1-15(25-18-13-11-17(22)12-14-18)21(24)23-20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-15H,1H3,(H,23,24)
InChIKeyPUZBQFZUVOFGBV-UHFFFAOYSA-N
XLogP6.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.90
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 716758
N-2-biphenylyl-2-[(2-methylbenzyl)thio]acetamide
CID 893736
2-[(4-chlorophenyl)thio]-N-(4-{[(2,5-dimethylphenyl)amino]sulfonyl}phenyl)acetamide
CID 1276097
2-[(4-chlorophenyl)thio]-N-(4-{[(2,4-dimethylphenyl)amino]sulfonyl}phenyl)acetamide
CID 1312948
N-(2-phenylphenyl)-2-phenylsulfanylacetamide
CID 2107916
2-(4-acetamidophenyl)sulfanyl-N-(2-phenylphenyl)acetamide
CID 2124005
N-(biphenyl-2-yl)-2-[(2,6-dichlorobenzyl)sulfanyl]acetamide
CID 2198291
N-[5-chloro-2-(phenylsulfanyl)phenyl]-2-phenylacetamide
CID 2480386
2-[(4-chlorophenyl)thio]-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 2910654
2-benzylsulfanyl-N-(2-phenylphenyl)propanamide
CID 2942740
3-[(4-chlorophenyl)sulfonyl]-N-(4-ethylphenyl)propanamide
CID 3423814
N-[4-(3-chlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 155521467

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide (CID 2942743) is 2-(4-chlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide is CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide?
The InChIKey is PUZBQFZUVOFGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNOS/c1-15(25-18-13-11-17(22)12-14-18)21(24)23-20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-15H,1H3,(H,23,24).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide has a molecular weight of 367.90 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 2942743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).