N-[4-(2-methylanilino)phenyl]-2-sulfanylacetamide

C15H16N2OS — CID 57104342

IUPACN-[4-(2-methylanilino)phenyl]-2-sulfanylacetamide
SMILESCc1ccccc1Nc1ccc(NC(=O)CS)cc1
InChIInChI=1S/C15H16N2OS/c1-11-4-2-3-5-14(11)16-12-6-8-13(9-7-12)17-15(18)10-19/h2-9,16,19H,10H2,1H3,(H,17,18)
InChIKeyRMURQZCCMXPSDZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.61
Rot. Bonds4

About N-[4-(2-methylanilino)phenyl]-2-sulfanylacetamide

N-[4-(2-methylanilino)phenyl]-2-sulfanylacetamide (PubChem CID 57104342) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[4-(2-methylanilino)phenyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(2-methylanilino)phenyl]-2-sulfanylacetamide
PubChem CID57104342
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-[4-(2-methylanilino)phenyl]-2-sulfanylacetamide
SMILESCc1ccccc1Nc1ccc(NC(=O)CS)cc1
InChIInChI=1S/C15H16N2OS/c1-11-4-2-3-5-14(11)16-12-6-8-13(9-7-12)17-15(18)10-19/h2-9,16,19H,10H2,1H3,(H,17,18)
InChIKeyRMURQZCCMXPSDZ-UHFFFAOYSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylanilino)phenyl]-3-sulfanylpropanamide
CID 54533321
N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide
CID 108952924
gold;N-phenyl-2-sulfanylacetamide
CID 138394114
2-(2-methylanilino)-N-(4-methylphenyl)acetamide
CID 7636705
1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide
CID 144540679
N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide
CID 108952923
N-[4-(2-methoxyanilino)phenyl]-2-(2-methylphenyl)acetamide
CID 112987367
2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985879
4-(2-methylanilino)benzenesulfonic acid
CID 53426443
N-[4-(2,3-dimethylanilino)phenyl]-2-phenoxyacetamide
CID 112986448
N-(3-anilinophenyl)-2-sulfanylacetamide
CID 164884048
N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113031347

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylanilino)phenyl]-2-sulfanylacetamide?
The IUPAC name of N-[4-(2-methylanilino)phenyl]-2-sulfanylacetamide (CID 57104342) is N-[4-(2-methylanilino)phenyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[4-(2-methylanilino)phenyl]-2-sulfanylacetamide?
The canonical SMILES for N-[4-(2-methylanilino)phenyl]-2-sulfanylacetamide is Cc1ccccc1Nc1ccc(NC(=O)CS)cc1.
What is the InChIKey of N-[4-(2-methylanilino)phenyl]-2-sulfanylacetamide?
The InChIKey is RMURQZCCMXPSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-4-2-3-5-14(11)16-12-6-8-13(9-7-12)17-15(18)10-19/h2-9,16,19H,10H2,1H3,(H,17,18).
What are the key properties of N-[4-(2-methylanilino)phenyl]-2-sulfanylacetamide?
N-[4-(2-methylanilino)phenyl]-2-sulfanylacetamide has a molecular weight of 272.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylanilino)phenyl]-2-sulfanylacetamide is sourced from PubChem (CID 57104342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).