N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide

C16H16ClNOS — CID 956628

IUPACN-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClNOS/c1-12-6-8-13(9-7-12)20-11-10-16(19)18-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyHTPQKWNVTHPRQS-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.77
Rot. Bonds5

About N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide

N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 956628) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID956628
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC NameN-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClNOS/c1-12-6-8-13(9-7-12)20-11-10-16(19)18-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyHTPQKWNVTHPRQS-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-3-phenylsulfanylpropanamide
CID 7965800
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 126186170
3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 1296490
N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7920186
N-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23861664
N-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 3926266
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide
CID 7979690
N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23889516
N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22782055
N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide
CID 974708
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 17387870

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide (CID 956628) is N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is HTPQKWNVTHPRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-12-6-8-13(9-7-12)20-11-10-16(19)18-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide?
N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 305.83 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 956628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).