N-[(4-methylphenyl)sulfanylcarbamoyl]acetamide

C10H12N2O2S — CID 123348607

IUPACN-[(4-methylphenyl)sulfanylcarbamoyl]acetamide
SMILESCC(=O)NC(=O)NSc1ccc(C)cc1
InChIInChI=1S/C10H12N2O2S/c1-7-3-5-9(6-4-7)15-12-10(14)11-8(2)13/h3-6H,1-2H3,(H2,11,12,13,14)
InChIKeyMRBDDSCGJIWYLR-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.85
Rot. Bonds2

About N-[(4-methylphenyl)sulfanylcarbamoyl]acetamide

N-[(4-methylphenyl)sulfanylcarbamoyl]acetamide (PubChem CID 123348607) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-[(4-methylphenyl)sulfanylcarbamoyl]acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)sulfanylcarbamoyl]acetamide
PubChem CID123348607
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC NameN-[(4-methylphenyl)sulfanylcarbamoyl]acetamide
SMILESCC(=O)NC(=O)NSc1ccc(C)cc1
InChIInChI=1S/C10H12N2O2S/c1-7-3-5-9(6-4-7)15-12-10(14)11-8(2)13/h3-6H,1-2H3,(H2,11,12,13,14)
InChIKeyMRBDDSCGJIWYLR-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Urea, 1-butyl-3-(p-tolylthio)-
CID 3045348
3-Tert-butyl-1-tosyl-urea
CID 842481
Acetamide, N-((((4-methylphenyl)sulfonyl)amino)carbonyl)-2,2,2-trichloro-
CID 3078901
N-(4-methylphenyl)sulfanylacetamide
CID 12123818
N-[(4-methylphenyl)sulfonylcarbamoyl]butanamide
CID 121007306
N-[fluoro-(4-methylphenyl)sulfonylcarbamoyl]acetamide
CID 177707208
2-fluoro-N-[(2-methylphenyl)sulfonylcarbamoyl]acetamide
CID 177712189
3-methyl-N-[(4-methylphenyl)sulfonylcarbamoyl]but-2-enamide
CID 302004
4-methyl-N-[(4-methylphenyl)sulfonylcarbamoyl]pent-3-enamide
CID 302006
N-chloroacetyl-N'-(4-methylphenylsulfonyl)urea
CID 14932830
N-[(2,3-dimethylphenyl)sulfanylcarbamoyl]acetamide
CID 123189258
N-[(2,6-dimethylphenyl)sulfanylcarbamoyl]acetamide
CID 123582204

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)sulfanylcarbamoyl]acetamide?
The IUPAC name of N-[(4-methylphenyl)sulfanylcarbamoyl]acetamide (CID 123348607) is N-[(4-methylphenyl)sulfanylcarbamoyl]acetamide.
What is the SMILES notation for N-[(4-methylphenyl)sulfanylcarbamoyl]acetamide?
The canonical SMILES for N-[(4-methylphenyl)sulfanylcarbamoyl]acetamide is CC(=O)NC(=O)NSc1ccc(C)cc1.
What is the InChIKey of N-[(4-methylphenyl)sulfanylcarbamoyl]acetamide?
The InChIKey is MRBDDSCGJIWYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-7-3-5-9(6-4-7)15-12-10(14)11-8(2)13/h3-6H,1-2H3,(H2,11,12,13,14).
What are the key properties of N-[(4-methylphenyl)sulfanylcarbamoyl]acetamide?
N-[(4-methylphenyl)sulfanylcarbamoyl]acetamide has a molecular weight of 224.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)sulfanylcarbamoyl]acetamide is sourced from PubChem (CID 123348607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).