2-benzylsulfanyl-N-(4-methylphenyl)propanamide

C17H19NOS — CID 2888981

IUPAC2-benzylsulfanyl-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)SCc2ccccc2)cc1
InChIInChI=1S/C17H19NOS/c1-13-8-10-16(11-9-13)18-17(19)14(2)20-12-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,18,19)
InChIKeyJHQPZYIYFKNEQA-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.26
Rot. Bonds5

About 2-benzylsulfanyl-N-(4-methylphenyl)propanamide

2-benzylsulfanyl-N-(4-methylphenyl)propanamide (PubChem CID 2888981) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(4-methylphenyl)propanamide
PubChem CID2888981
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-benzylsulfanyl-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)SCc2ccccc2)cc1
InChIInChI=1S/C17H19NOS/c1-13-8-10-16(11-9-13)18-17(19)14(2)20-12-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,18,19)
InChIKeyJHQPZYIYFKNEQA-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylacetanilide
CID 7684
N,N'-Diacetylbenzidine
CID 11942
N-Acetyl-4-aminobiphenyl
CID 19998
Cinanserin
CID 5475158
Acetylbenzidine
CID 18787
p-Malonotoluidide
CID 95277
2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid
CID 737675
Acetamide, N-(4-butylphenyl)-
CID 77227
2-(benzylthio)-N-phenylacetamide
CID 584914
Thioglycolic acid o-toluidide
CID 37364
4',4''-Methylenebis(acetanilide)
CID 94990
AZ12216052
CID 73755190

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-benzylsulfanyl-N-(4-methylphenyl)propanamide (CID 2888981) is 2-benzylsulfanyl-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-benzylsulfanyl-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)SCc2ccccc2)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-(4-methylphenyl)propanamide?
The InChIKey is JHQPZYIYFKNEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-13-8-10-16(11-9-13)18-17(19)14(2)20-12-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,18,19).
What are the key properties of 2-benzylsulfanyl-N-(4-methylphenyl)propanamide?
2-benzylsulfanyl-N-(4-methylphenyl)propanamide has a molecular weight of 285.41 g/mol, XLogP of 4.26, 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-methylphenyl)propanamide is sourced from PubChem (CID 2888981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).