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

C13H21N3O3S — CID 61164806

IUPAC(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cccc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H21N3O3S/c1-4-8(2)12(14)13(17)16-10-6-5-7-11(9(10)3)20(15,18)19/h5-8,12H,4,14H2,1-3H3,(H,16,17)(H2,15,18,19)/t8-,12-/m0/s1
InChIKeyNFYBAVXRVKVIJN-UFBFGSQYSA-N
MW299.40 g/mol
LogP0.95
Rot. Bonds5

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

(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide (PubChem CID 61164806) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide
PubChem CID61164806
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cccc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H21N3O3S/c1-4-8(2)12(14)13(17)16-10-6-5-7-11(9(10)3)20(15,18)19/h5-8,12H,4,14H2,1-3H3,(H,16,17)(H2,15,18,19)/t8-,12-/m0/s1
InChIKeyNFYBAVXRVKVIJN-UFBFGSQYSA-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

(2S)-2-amino-N-(3-bromo-2-methylphenyl)-3-methylpentanamide
CID 103832917
2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide
CID 119793659
2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide
CID 65230250
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylbenzamide
CID 61180394
N-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride
CID 119740914
2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602659
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602661
(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide
CID 61180080
2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 79196365
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807
(2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide
CID 61172312

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide (CID 61164806) is (2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1cccc(S(N)(=O)=O)c1C.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide?
The InChIKey is NFYBAVXRVKVIJN-UFBFGSQYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-8(2)12(14)13(17)16-10-6-5-7-11(9(10)3)20(15,18)19/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,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide?
(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-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,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide is sourced from PubChem (CID 61164806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).