(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide

C14H23N3O3S — CID 61258908

IUPAC(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C14H23N3O3S/c1-9(2)13(15)14(18)16-12-8-11(7-6-10(12)3)21(19,20)17(4)5/h6-9,13H,15H2,1-5H3,(H,16,18)/t13-/m0/s1
InChIKeyDWPNYJCEYZJXPR-ZDUSSCGKSA-N
MW313.42 g/mol
LogP1.17
Rot. Bonds5

About (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide

(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide (PubChem CID 61258908) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide
PubChem CID61258908
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C14H23N3O3S/c1-9(2)13(15)14(18)16-12-8-11(7-6-10(12)3)21(19,20)17(4)5/h6-9,13H,15H2,1-5H3,(H,16,18)/t13-/m0/s1
InChIKeyDWPNYJCEYZJXPR-ZDUSSCGKSA-N
XLogP1.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 79013470
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide
CID 107569318
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide
CID 75981195
(2S)-2-(azepan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 9391020
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide
CID 43712521
[(2S)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7825203
[(2R)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7825202
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 47088877
(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 52501367
N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide
CID 43697583

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide (CID 61258908) is (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide?
The InChIKey is DWPNYJCEYZJXPR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-9(2)13(15)14(18)16-12-8-11(7-6-10(12)3)21(19,20)17(4)5/h6-9,13H,15H2,1-5H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide?
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide has a molecular weight of 313.42 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide is sourced from PubChem (CID 61258908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).