2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide

C12H17N3O2S — CID 79147156

IUPAC2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Sc1cccc(C)c1N
InChIInChI=1S/C12H17N3O2S/c1-7-5-4-6-9(10(7)13)18-8(2)11(16)15-12(17)14-3/h4-6,8H,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyFRWMVYQKFWVPQW-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.51
Rot. Bonds3

About 2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide

2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide (PubChem CID 79147156) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
PubChem CID79147156
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Sc1cccc(C)c1N
InChIInChI=1S/C12H17N3O2S/c1-7-5-4-6-9(10(7)13)18-8(2)11(16)15-12(17)14-3/h4-6,8H,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyFRWMVYQKFWVPQW-UHFFFAOYSA-N
XLogP1.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-3-methylphenyl)sulfanylpropanamide
CID 79147499
2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid
CID 45282097
(2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7458289
N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 47449275
2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 43303759
2-(2-amino-5-bromophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 79533451
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7743634
(2R)-N-(methylcarbamoyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
CID 7799494
(2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 95318510
2-(2-methylphenyl)sulfanylpropanehydrazide
CID 63582156
2-(3-formylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 66356400
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 4814966

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide (CID 79147156) is 2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Sc1cccc(C)c1N.
What is the InChIKey of 2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
The InChIKey is FRWMVYQKFWVPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-7-5-4-6-9(10(7)13)18-8(2)11(16)15-12(17)14-3/h4-6,8H,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide has a molecular weight of 267.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 79147156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).