(2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide

C14H23N3O3S — CID 61155453

IUPAC(2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C14H23N3O3S/c1-9(2)7-12(15)14(18)17-13-8-11(6-5-10(13)3)21(19,20)16-4/h5-6,8-9,12,16H,7,15H2,1-4H3,(H,17,18)/t12-/m0/s1
InChIKeyIQIYCODZHUDMAQ-LBPRGKRZSA-N
MW313.42 g/mol
LogP1.22
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide

(2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide (PubChem CID 61155453) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
PubChem CID61155453
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name(2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C14H23N3O3S/c1-9(2)7-12(15)14(18)17-13-8-11(6-5-10(13)3)21(19,20)16-4/h5-6,8-9,12,16H,7,15H2,1-4H3,(H,17,18)/t12-/m0/s1
InChIKeyIQIYCODZHUDMAQ-LBPRGKRZSA-N
XLogP1.22
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 103795500
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 43695768
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 24690389
2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide
CID 43712543
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide
CID 61179907
3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 106111402
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylbenzamide
CID 119711747
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
2-amino-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 43703439
N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide
CID 47413216
2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 63374698
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide (CID 61155453) is (2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide is CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](N)CC(C)C)c1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide?
The InChIKey is IQIYCODZHUDMAQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-9(2)7-12(15)14(18)17-13-8-11(6-5-10(13)3)21(19,20)16-4/h5-6,8-9,12,16H,7,15H2,1-4H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide?
(2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide has a molecular weight of 313.42 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide is sourced from PubChem (CID 61155453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).