(2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide

C13H21N3O3S — CID 61172312

IUPAC(2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C13H21N3O3S/c1-4-8(2)12(14)13(17)16-11-7-10(20(15,18)19)6-5-9(11)3/h5-8,12H,4,14H2,1-3H3,(H,16,17)(H2,15,18,19)/t8?,12-/m0/s1
InChIKeyPGMJYMRUYUBUMW-MYIOLCAUSA-N
MW299.40 g/mol
LogP0.95
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide

(2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide (PubChem CID 61172312) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide
PubChem CID61172312
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name(2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C13H21N3O3S/c1-4-8(2)12(14)13(17)16-11-7-10(20(15,18)19)6-5-9(11)3/h5-8,12H,4,14H2,1-3H3,(H,16,17)(H2,15,18,19)/t8?,12-/m0/s1
InChIKeyPGMJYMRUYUBUMW-MYIOLCAUSA-N
XLogP0.95
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 79013470
3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 62727205
(2S,3S)-2-amino-N-(5-bromo-2-methylphenyl)-3-methylpentanamide
CID 61178087
(2S,3S)-N-(5-acetamido-2-methylphenyl)-2-amino-3-methylpentanamide
CID 61154615
ethyl N-(2-methyl-5-sulfamoylphenyl)carbamate
CID 61063184
(2S)-2-amino-N-(5-cyano-2-methylphenyl)-3-methylpentanamide
CID 62105604
(2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 61156327
(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 66475643
3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide
CID 43711952
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3-methylpentanamide
CID 61174777
(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide
CID 61164806
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-N,N,4-trimethylbenzamide
CID 61179468

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide (CID 61172312) is (2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide is CCC(C)[C@H](N)C(=O)Nc1cc(S(N)(=O)=O)ccc1C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide?
The InChIKey is PGMJYMRUYUBUMW-MYIOLCAUSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-8(2)12(14)13(17)16-11-7-10(20(15,18)19)6-5-9(11)3/h5-8,12H,4,14H2,1-3H3,(H,16,17)(H2,15,18,19)/t8?,12-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide?
(2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide has a molecular weight of 299.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide is sourced from PubChem (CID 61172312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).