N-[(3-methylphenyl)sulfanylcarbamoyl]acetamide

C10H12N2O2S — CID 123881295

IUPACN-[(3-methylphenyl)sulfanylcarbamoyl]acetamide
SMILESCC(=O)NC(=O)NSc1cccc(C)c1
InChIInChI=1S/C10H12N2O2S/c1-7-4-3-5-9(6-7)15-12-10(14)11-8(2)13/h3-6H,1-2H3,(H2,11,12,13,14)
InChIKeyXCTSYOMWWJVNQR-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.85
Rot. Bonds2

About N-[(3-methylphenyl)sulfanylcarbamoyl]acetamide

N-[(3-methylphenyl)sulfanylcarbamoyl]acetamide (PubChem CID 123881295) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-[(3-methylphenyl)sulfanylcarbamoyl]acetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)sulfanylcarbamoyl]acetamide
PubChem CID123881295
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC NameN-[(3-methylphenyl)sulfanylcarbamoyl]acetamide
SMILESCC(=O)NC(=O)NSc1cccc(C)c1
InChIInChI=1S/C10H12N2O2S/c1-7-4-3-5-9(6-7)15-12-10(14)11-8(2)13/h3-6H,1-2H3,(H2,11,12,13,14)
InChIKeyXCTSYOMWWJVNQR-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

(3-methylphenyl)sulfanylhydrazine
CID 117036019
1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(3-methylphenyl)sulfanylurea
CID 22299438
N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 47449275
N-(3-methylphenyl)acetamide
CID 10843
1-(3-methylphenyl)-3-(4-nitrophenyl)sulfanylurea
CID 91084948
(E)-3-(3-methylphenyl)sulfanylbut-2-enoic acid
CID 12638022
acetic acid;azane;1,3-xylene
CID 21426934
N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide
CID 47449269
(3-methylphenyl)sulfanyl prop-2-enoate
CID 139627241
(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214694
methyl-(3-methylphenyl)sulfanylcarbamic acid
CID 19991655
N-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide
CID 47449185

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)sulfanylcarbamoyl]acetamide?
The IUPAC name of N-[(3-methylphenyl)sulfanylcarbamoyl]acetamide (CID 123881295) is N-[(3-methylphenyl)sulfanylcarbamoyl]acetamide.
What is the SMILES notation for N-[(3-methylphenyl)sulfanylcarbamoyl]acetamide?
The canonical SMILES for N-[(3-methylphenyl)sulfanylcarbamoyl]acetamide is CC(=O)NC(=O)NSc1cccc(C)c1.
What is the InChIKey of N-[(3-methylphenyl)sulfanylcarbamoyl]acetamide?
The InChIKey is XCTSYOMWWJVNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-7-4-3-5-9(6-7)15-12-10(14)11-8(2)13/h3-6H,1-2H3,(H2,11,12,13,14).
What are the key properties of N-[(3-methylphenyl)sulfanylcarbamoyl]acetamide?
N-[(3-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-[(3-methylphenyl)sulfanylcarbamoyl]acetamide is sourced from PubChem (CID 123881295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).