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

C18H24ClN3O3S — CID 119675164

IUPAC3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride
SMILESCc1ccc(NC(=O)C(CN)c2ccccc2)cc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-13-9-10-15(11-17(13)25(23,24)21(2)3)20-18(22)16(12-19)14-7-5-4-6-8-14;/h4-11,16H,12,19H2,1-3H3,(H,20,22);1H
InChIKeyHQKKQMUJHMUBOK-UHFFFAOYSA-N
MW397.93 g/mol
LogP2.35
Rot. Bonds6

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

3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride (PubChem CID 119675164) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride
PubChem CID119675164
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC Name3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride
SMILESCc1ccc(NC(=O)C(CN)c2ccccc2)cc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-13-9-10-15(11-17(13)25(23,24)21(2)3)20-18(22)16(12-19)14-7-5-4-6-8-14;/h4-11,16H,12,19H2,1-3H3,(H,20,22);1H
InChIKeyHQKKQMUJHMUBOK-UHFFFAOYSA-N
XLogP2.35
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide
CID 62670776
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide
CID 119263742
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide
CID 61259264
(2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 7812070
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride
CID 119675207
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 5138475
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 81084175
2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 43346422
2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-hydroxyacetamide
CID 154862984
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide;hydrochloride
CID 120558768
N-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24635520

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride (CID 119675164) is 3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride is Cc1ccc(NC(=O)C(CN)c2ccccc2)cc1S(=O)(=O)N(C)C.Cl.
What is the InChIKey of 3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is HQKKQMUJHMUBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S.ClH/c1-13-9-10-15(11-17(13)25(23,24)21(2)3)20-18(22)16(12-19)14-7-5-4-6-8-14;/h4-11,16H,12,19H2,1-3H3,(H,20,22);1H.
What are the key properties of 3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride?
3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 397.93 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119675164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).