2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide

C17H18N2O2S — CID 60594345

IUPAC2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
SMILESCc1cccc(SC(C)C(=O)NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H18N2O2S/c1-12-7-6-10-15(11-12)22-13(2)16(20)19-17(21)18-14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H2,18,19,20,21)
InChIKeyAWJQDBBGJXPILG-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.82
Rot. Bonds4

About 2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide

2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide (PubChem CID 60594345) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
PubChem CID60594345
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
SMILESCc1cccc(SC(C)C(=O)NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H18N2O2S/c1-12-7-6-10-15(11-12)22-13(2)16(20)19-17(21)18-14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H2,18,19,20,21)
InChIKeyAWJQDBBGJXPILG-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 47449275
(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214694
N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide
CID 47449269
2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569378
2-(4-bromophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569774
(2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214646
N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 60594153
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
N-(3-methylphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905851
N-[3-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide
CID 18906978
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
N-(3-methylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanamide
CID 19316564

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide?
The IUPAC name of 2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide (CID 60594345) is 2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide.
What is the SMILES notation for 2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide?
The canonical SMILES for 2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide is Cc1cccc(SC(C)C(=O)NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide?
The InChIKey is AWJQDBBGJXPILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-12-7-6-10-15(11-12)22-13(2)16(20)19-17(21)18-14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide?
2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide has a molecular weight of 314.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide is sourced from PubChem (CID 60594345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).