3-amino-4-methyl-N-propan-2-ylsulfonylbenzamide

C11H16N2O3S — CID 103307891

IUPAC3-amino-4-methyl-N-propan-2-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)C(C)C)cc1N
InChIInChI=1S/C11H16N2O3S/c1-7(2)17(15,16)13-11(14)9-5-4-8(3)10(12)6-9/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeySHAACFDTWDGYLQ-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.05
Rot. Bonds3

About 3-amino-4-methyl-N-propan-2-ylsulfonylbenzamide

3-amino-4-methyl-N-propan-2-ylsulfonylbenzamide (PubChem CID 103307891) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-amino-4-methyl-N-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-propan-2-ylsulfonylbenzamide
PubChem CID103307891
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-amino-4-methyl-N-propan-2-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)C(C)C)cc1N
InChIInChI=1S/C11H16N2O3S/c1-7(2)17(15,16)13-11(14)9-5-4-8(3)10(12)6-9/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeySHAACFDTWDGYLQ-UHFFFAOYSA-N
XLogP1.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-methyl-N-propan-2-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-butan-2-yl-4-methylbenzamide
CID 16771437
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 93081126
(2S,3R)-2-[(3-amino-4-methylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965391
3-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-4-methylbenzamide
CID 113266675
3-amino-N-tert-butyl-4-methylbenzamide
CID 12607979
methyl (2S)-2-[(3-amino-4-methylbenzoyl)amino]-3-methylbutanoate
CID 61142860
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090
3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide
CID 63842494
3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide
CID 100803507
3-amino-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82724682
(2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid
CID 78972566
5-[(3-amino-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 112547774

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-propan-2-ylsulfonylbenzamide?
The IUPAC name of 3-amino-4-methyl-N-propan-2-ylsulfonylbenzamide (CID 103307891) is 3-amino-4-methyl-N-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for 3-amino-4-methyl-N-propan-2-ylsulfonylbenzamide?
The canonical SMILES for 3-amino-4-methyl-N-propan-2-ylsulfonylbenzamide is Cc1ccc(C(=O)NS(=O)(=O)C(C)C)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-propan-2-ylsulfonylbenzamide?
The InChIKey is SHAACFDTWDGYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(2)17(15,16)13-11(14)9-5-4-8(3)10(12)6-9/h4-7H,12H2,1-3H3,(H,13,14).
What are the key properties of 3-amino-4-methyl-N-propan-2-ylsulfonylbenzamide?
3-amino-4-methyl-N-propan-2-ylsulfonylbenzamide has a molecular weight of 256.33 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 103307891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).