2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride

C19H26ClN3O3S — CID 119679343

IUPAC2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-13-6-5-7-17(10-13)22-26(24,25)18-11-16(9-8-14(18)2)21-19(23)15(3)12-20-4;/h5-11,15,20,22H,12H2,1-4H3,(H,21,23);1H
InChIKeyXXIYQFIQOWHXAF-UHFFFAOYSA-N
MW411.96 g/mol
LogP3.32
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride (PubChem CID 119679343) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride
PubChem CID119679343
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC Name2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-13-6-5-7-17(10-13)22-26(24,25)18-11-16(9-8-14(18)2)21-19(23)15(3)12-20-4;/h5-11,15,20,22H,12H2,1-4H3,(H,21,23);1H
InChIKeyXXIYQFIQOWHXAF-UHFFFAOYSA-N
XLogP3.32
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 42940924
(2R)-2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 35678664
(2S)-2-amino-4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
CID 119679357
4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide
CID 25342400
(2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 119679340
4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
CID 120558919
(2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 170343253
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 39908102
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide
CID 25342391
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide
CID 79195858
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679353

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride (CID 119679343) is 2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride is CNCC(C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride?
The InChIKey is XXIYQFIQOWHXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c1-13-6-5-7-17(10-13)22-26(24,25)18-11-16(9-8-14(18)2)21-19(23)15(3)12-20-4;/h5-11,15,20,22H,12H2,1-4H3,(H,21,23);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119679343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).