N-carbamoyl-2-(3,4-dimethylphenyl)sulfanylacetamide

C11H14N2O2S — CID 3326345

IUPACN-carbamoyl-2-(3,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC(N)=O)cc1C
InChIInChI=1S/C11H14N2O2S/c1-7-3-4-9(5-8(7)2)16-6-10(14)13-11(12)15/h3-5H,6H2,1-2H3,(H3,12,13,14,15)
InChIKeyWFQMIFOMKZNFHB-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.59
Rot. Bonds3

About N-carbamoyl-2-(3,4-dimethylphenyl)sulfanylacetamide

N-carbamoyl-2-(3,4-dimethylphenyl)sulfanylacetamide (PubChem CID 3326345) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-carbamoyl-2-(3,4-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(3,4-dimethylphenyl)sulfanylacetamide
PubChem CID3326345
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-carbamoyl-2-(3,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC(N)=O)cc1C
InChIInChI=1S/C11H14N2O2S/c1-7-3-4-9(5-8(7)2)16-6-10(14)13-11(12)15/h3-5H,6H2,1-2H3,(H3,12,13,14,15)
InChIKeyWFQMIFOMKZNFHB-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(3,4-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-carbamoyl-2-(3,4-dimethylphenyl)sulfanylacetamide (CID 3326345) is N-carbamoyl-2-(3,4-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-carbamoyl-2-(3,4-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-carbamoyl-2-(3,4-dimethylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NC(N)=O)cc1C.
What is the InChIKey of N-carbamoyl-2-(3,4-dimethylphenyl)sulfanylacetamide?
The InChIKey is WFQMIFOMKZNFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-7-3-4-9(5-8(7)2)16-6-10(14)13-11(12)15/h3-5H,6H2,1-2H3,(H3,12,13,14,15).
What are the key properties of N-carbamoyl-2-(3,4-dimethylphenyl)sulfanylacetamide?
N-carbamoyl-2-(3,4-dimethylphenyl)sulfanylacetamide has a molecular weight of 238.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(3,4-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 3326345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).