(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide

C13H21N3O3S — CID 103795500

IUPAC(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C
InChIInChI=1S/C13H21N3O3S/c1-4-5-11(14)13(17)16-12-8-10(7-6-9(12)2)20(18,19)15-3/h6-8,11,15H,4-5,14H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyGBZNDYOVYUFNMO-LLVKDONJSA-N
MW299.40 g/mol
LogP0.97
Rot. Bonds6

About (2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide

(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide (PubChem CID 103795500) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
PubChem CID103795500
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C
InChIInChI=1S/C13H21N3O3S/c1-4-5-11(14)13(17)16-12-8-10(7-6-9(12)2)20(18,19)15-3/h6-8,11,15H,4-5,14H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyGBZNDYOVYUFNMO-LLVKDONJSA-N
XLogP0.97
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 107568455
(2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 61155453
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide
CID 107569318
(2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide
CID 107568654
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 43695768
(2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 103794824
3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 106111402
2-amino-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 43703439
2-(ethylamino)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 62831773
methyl 3-(2-aminopentanoylamino)-4-methylbenzoate;hydrochloride
CID 119265257
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 107568676
2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 63374698

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide (CID 103795500) is (2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide is CCC[C@@H](N)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C.
What is the InChIKey of (2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide?
The InChIKey is GBZNDYOVYUFNMO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-5-11(14)13(17)16-12-8-10(7-6-9(12)2)20(18,19)15-3/h6-8,11,15H,4-5,14H2,1-3H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide?
(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide has a molecular weight of 299.40 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide is sourced from PubChem (CID 103795500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).