4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide

C12H19N3O3S — CID 64630405

IUPAC4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide
SMILESCNC(=O)c1ccc(N)cc1NC(C)CS(C)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-8(7-19(3,17)18)15-11-6-9(13)4-5-10(11)12(16)14-2/h4-6,8,15H,7,13H2,1-3H3,(H,14,16)
InChIKeyRTXZLHSUYCSSRG-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.47
Rot. Bonds5

About 4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide

4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide (PubChem CID 64630405) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide
PubChem CID64630405
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide
SMILESCNC(=O)c1ccc(N)cc1NC(C)CS(C)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-8(7-19(3,17)18)15-11-6-9(13)4-5-10(11)12(16)14-2/h4-6,8,15H,7,13H2,1-3H3,(H,14,16)
InChIKeyRTXZLHSUYCSSRG-UHFFFAOYSA-N
XLogP0.47
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide
CID 82946067
4-amino-N-methyl-2-(4-methylsulfanylbutan-2-ylamino)benzamide
CID 113476993
4-amino-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-methylbenzamide
CID 79248207
4-amino-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzamide
CID 106155092
N,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide
CID 64630962
4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride
CID 119786700
4-amino-N-methyl-2-(3-methylbutylsulfanyl)benzamide
CID 107748130
5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
CID 100655116
4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide
CID 106006969
4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide
CID 106140800
1-methyl-3-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]urea
CID 64629337
4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914354

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide?
The IUPAC name of 4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide (CID 64630405) is 4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide.
What is the SMILES notation for 4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide?
The canonical SMILES for 4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide is CNC(=O)c1ccc(N)cc1NC(C)CS(C)(=O)=O.
What is the InChIKey of 4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide?
The InChIKey is RTXZLHSUYCSSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8(7-19(3,17)18)15-11-6-9(13)4-5-10(11)12(16)14-2/h4-6,8,15H,7,13H2,1-3H3,(H,14,16).
What are the key properties of 4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide?
4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide has a molecular weight of 285.37 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide is sourced from PubChem (CID 64630405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).