2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride

C15H26ClN3O3S — CID 119675207

IUPAC2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1.Cl
InChIInChI=1S/C15H25N3O3S.ClH/c1-6-10(2)14(16)15(19)17-12-8-7-11(3)13(9-12)22(20,21)18(4)5;/h7-10,14H,6,16H2,1-5H3,(H,17,19);1H
InChIKeySMBVVFBDODHFKU-UHFFFAOYSA-N
MW363.91 g/mol
LogP1.98
Rot. Bonds6

About 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride

2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride (PubChem CID 119675207) has the molecular formula C15H26ClN3O3S and a molecular weight of 363.91 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride
PubChem CID119675207
Molecular FormulaC15H26ClN3O3S
Molecular Weight363.91 g/mol
Exact Mass363.14
IUPAC Name2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1.Cl
InChIInChI=1S/C15H25N3O3S.ClH/c1-6-10(2)14(16)15(19)17-12-8-7-11(3)13(9-12)22(20,21)18(4)5;/h7-10,14H,6,16H2,1-5H3,(H,17,19);1H
InChIKeySMBVVFBDODHFKU-UHFFFAOYSA-N
XLogP1.98
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide
CID 61259264
3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide
CID 62670776
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide;hydrochloride
CID 120558768
2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 43346422
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide
CID 119263742
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3-methylpentanamide
CID 61174777
3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride
CID 119675164
(2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 7812070
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 5138475
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 81084175
2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide
CID 51331861
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride (CID 119675207) is 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1.Cl.
What is the InChIKey of 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride?
The InChIKey is SMBVVFBDODHFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S.ClH/c1-6-10(2)14(16)15(19)17-12-8-7-11(3)13(9-12)22(20,21)18(4)5;/h7-10,14H,6,16H2,1-5H3,(H,17,19);1H.
What are the key properties of 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride has a molecular weight of 363.91 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119675207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).