(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide

C11H16ClN3O3S — CID 61178070

IUPAC(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C11H16ClN3O3S/c1-6(2)10(13)11(16)15-9-5-7(19(14,17)18)3-4-8(9)12/h3-6,10H,13H2,1-2H3,(H,15,16)(H2,14,17,18)/t10-/m0/s1
InChIKeyDLEXRZCHXFDGRC-JTQLQIEISA-N
MW305.79 g/mol
LogP0.91
Rot. Bonds4

About (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide

(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide (PubChem CID 61178070) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide
PubChem CID61178070
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C11H16ClN3O3S/c1-6(2)10(13)11(16)15-9-5-7(19(14,17)18)3-4-8(9)12/h3-6,10H,13H2,1-2H3,(H,15,16)(H2,14,17,18)/t10-/m0/s1
InChIKeyDLEXRZCHXFDGRC-JTQLQIEISA-N
XLogP0.91
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide 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

(2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 79013470
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 107568676
3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
CID 54924131
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 24690259
2-(2-chloro-5-sulfamoylanilino)propanoic acid
CID 66174535
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 79011608
N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852732
(2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide
CID 61172312
(2S)-2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbutanamide
CID 104727039
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide
CID 107902980
(2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 79025267

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide (CID 61178070) is (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide is CC(C)[C@H](N)C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide?
The InChIKey is DLEXRZCHXFDGRC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-6(2)10(13)11(16)15-9-5-7(19(14,17)18)3-4-8(9)12/h3-6,10H,13H2,1-2H3,(H,15,16)(H2,14,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide?
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide has a molecular weight of 305.79 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide is sourced from PubChem (CID 61178070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).