N-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide

C11H14N2O2S — CID 47449185

IUPACN-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide
SMILESCc1cccc(SCCC(=O)NC(N)=O)c1
InChIInChI=1S/C11H14N2O2S/c1-8-3-2-4-9(7-8)16-6-5-10(14)13-11(12)15/h2-4,7H,5-6H2,1H3,(H3,12,13,14,15)
InChIKeyGJTGAAHCTVBBTC-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.67
Rot. Bonds4

About N-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide

N-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide (PubChem CID 47449185) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide
PubChem CID47449185
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide
SMILESCc1cccc(SCCC(=O)NC(N)=O)c1
InChIInChI=1S/C11H14N2O2S/c1-8-3-2-4-9(7-8)16-6-5-10(14)13-11(12)15/h2-4,7H,5-6H2,1H3,(H3,12,13,14,15)
InChIKeyGJTGAAHCTVBBTC-UHFFFAOYSA-N
XLogP1.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide
CID 61245255
3-(3-methylphenyl)sulfanylpropanimidamide
CID 61243250
N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide
CID 47449269
1-methyl-3-(2-phenylsulfanylethylsulfanyl)benzene
CID 79327094
3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 47154225
2-(methylamino)-4-(3-methylphenyl)sulfanylbutanoic acid
CID 63033091
ethyl 5-(3-methylphenyl)sulfanyl-4-oxopentanoate
CID 66323173
3-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylpropanamide
CID 64662146
N-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide
CID 47449102
N-carbamoyl-2-(4-methylphenyl)sulfanylacetamide
CID 8752877
N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 1251693
2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64819222

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide (CID 47449185) is N-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide is Cc1cccc(SCCC(=O)NC(N)=O)c1.
What is the InChIKey of N-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide?
The InChIKey is GJTGAAHCTVBBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-8-3-2-4-9(7-8)16-6-5-10(14)13-11(12)15/h2-4,7H,5-6H2,1H3,(H3,12,13,14,15).
What are the key properties of N-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide?
N-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide has a molecular weight of 238.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 47449185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).