N-(2,3-dimethylphenyl)-3-phenylsulfanylpropanamide

C17H19NOS — CID 895557

IUPACN-(2,3-dimethylphenyl)-3-phenylsulfanylpropanamide
SMILESCc1cccc(NC(=O)CCSc2ccccc2)c1C
InChIInChI=1S/C17H19NOS/c1-13-7-6-10-16(14(13)2)18-17(19)11-12-20-15-8-4-3-5-9-15/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyJWIVPFBGYYQPMC-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.42
Rot. Bonds5

About N-(2,3-dimethylphenyl)-3-phenylsulfanylpropanamide

N-(2,3-dimethylphenyl)-3-phenylsulfanylpropanamide (PubChem CID 895557) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-phenylsulfanylpropanamide
PubChem CID895557
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-(2,3-dimethylphenyl)-3-phenylsulfanylpropanamide
SMILESCc1cccc(NC(=O)CCSc2ccccc2)c1C
InChIInChI=1S/C17H19NOS/c1-13-7-6-10-16(14(13)2)18-17(19)11-12-20-15-8-4-3-5-9-15/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyJWIVPFBGYYQPMC-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 788759
N-(2,3-dimethylphenyl)-3-phenylpropanamide
CID 795944
2-Benzylsulfanyl-N-m-tolyl-propionamide
CID 2889447
N-(3-methylphenyl)-3-(phenylsulfonyl)propanamide
CID 716755
N-(2-fluorophenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 882943
N-(2-fluorophenyl)-2-[(4-methylbenzyl)thio]acetamide
CID 883059
N-[2-(methylthio)phenyl]-3-phenylpropanamide
CID 971362
2-Benzylsulfanyl-N-p-tolyl-propionamide
CID 2888981
2-(benzylthio)-N-(4-fluorophenyl)propanamide
CID 2899728
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-phenylsulfanylpropanamide (CID 895557) is N-(2,3-dimethylphenyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-phenylsulfanylpropanamide is Cc1cccc(NC(=O)CCSc2ccccc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-phenylsulfanylpropanamide?
The InChIKey is JWIVPFBGYYQPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-13-7-6-10-16(14(13)2)18-17(19)11-12-20-15-8-4-3-5-9-15/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-(2,3-dimethylphenyl)-3-phenylsulfanylpropanamide?
N-(2,3-dimethylphenyl)-3-phenylsulfanylpropanamide has a molecular weight of 285.41 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 895557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).