5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide

C14H23N3O3S — CID 82013611

IUPAC5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CCC(C)CN)ccc1C
InChIInChI=1S/C14H23N3O3S/c1-10(9-15)4-7-14(18)17-12-6-5-11(2)13(8-12)21(19,20)16-3/h5-6,8,10,16H,4,7,9,15H2,1-3H3,(H,17,18)
InChIKeyHAZKKAXETUAWBS-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.22
Rot. Bonds7

About 5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide

5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide (PubChem CID 82013611) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide
PubChem CID82013611
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CCC(C)CN)ccc1C
InChIInChI=1S/C14H23N3O3S/c1-10(9-15)4-7-14(18)17-12-6-5-11(2)13(8-12)21(19,20)16-3/h5-6,8,10,16H,4,7,9,15H2,1-3H3,(H,17,18)
InChIKeyHAZKKAXETUAWBS-UHFFFAOYSA-N
XLogP1.22
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
5-amino-N-(3-chloro-4-methylphenyl)-4-methylpentanamide
CID 82683230
5-amino-N-(3-bromo-4-methylphenyl)-4-methylpentanamide
CID 82688133
3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 106111636
4-(2,5-dimethylphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-oxobutanamide
CID 9107182
[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 9199194
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 8914627
(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 79024115
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 81084175
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005218
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide
CID 9107112
2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 61265605

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide?
The IUPAC name of 5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide (CID 82013611) is 5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide is CNS(=O)(=O)c1cc(NC(=O)CCC(C)CN)ccc1C.
What is the InChIKey of 5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide?
The InChIKey is HAZKKAXETUAWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10(9-15)4-7-14(18)17-12-6-5-11(2)13(8-12)21(19,20)16-3/h5-6,8,10,16H,4,7,9,15H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide?
5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide has a molecular weight of 313.42 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide is sourced from PubChem (CID 82013611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).