N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide

C11H14N2O2S — CID 47449269

IUPACN-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide
SMILESCc1cccc(SC(C)C(=O)NC(N)=O)c1
InChIInChI=1S/C11H14N2O2S/c1-7-4-3-5-9(6-7)16-8(2)10(14)13-11(12)15/h3-6,8H,1-2H3,(H3,12,13,14,15)
InChIKeyHQJKXSQODWQWOJ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.67
Rot. Bonds3

About N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide

N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide (PubChem CID 47449269) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide
PubChem CID47449269
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide
SMILESCc1cccc(SC(C)C(=O)NC(N)=O)c1
InChIInChI=1S/C11H14N2O2S/c1-7-4-3-5-9(6-7)16-8(2)10(14)13-11(12)15/h3-6,8H,1-2H3,(H3,12,13,14,15)
InChIKeyHQJKXSQODWQWOJ-UHFFFAOYSA-N
XLogP1.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 47449275
(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214694
2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 60594345
(2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide
CID 2500778
(2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214646
N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 60594153
(2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616394
(2R)-N-carbamoyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7417426
N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 61242685
N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide
CID 4003837
N-carbamoyl-2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 112782197
N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide
CID 60594314

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide (CID 47449269) is N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide is Cc1cccc(SC(C)C(=O)NC(N)=O)c1.
What is the InChIKey of N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide?
The InChIKey is HQJKXSQODWQWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-7-4-3-5-9(6-7)16-8(2)10(14)13-11(12)15/h3-6,8H,1-2H3,(H3,12,13,14,15).
What are the key properties of N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide?
N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide has a molecular weight of 238.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 47449269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).