N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride

C19H26ClN3O3S — CID 119465694

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride
SMILESCc1ccccc1C(C)(C)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-14-7-4-5-10-17(14)19(2,3)18(23)22-15-8-6-9-16(13-15)26(24,25)21-12-11-20;/h4-10,13,21H,11-12,20H2,1-3H3,(H,22,23);1H
InChIKeyCASNWSFTKHQOSG-UHFFFAOYSA-N
MW411.96 g/mol
LogP2.57
Rot. Bonds7

About N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride (PubChem CID 119465694) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride
PubChem CID119465694
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride
SMILESCc1ccccc1C(C)(C)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-14-7-4-5-10-17(14)19(2,3)18(23)22-15-8-6-9-16(13-15)26(24,25)21-12-11-20;/h4-10,13,21H,11-12,20H2,1-3H3,(H,22,23);1H
InChIKeyCASNWSFTKHQOSG-UHFFFAOYSA-N
XLogP2.57
TPSA101.29 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 ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenyl)-2-methylpropanamide
CID 119465603
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride
CID 119466092
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 119465831
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 119466051
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
N-[3-(2-aminoethylsulfamoyl)phenyl]cyclobutanecarboxamide;hydrochloride
CID 119465742
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride
CID 119465426
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-tert-butyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119465520
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride
CID 119465372

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride (CID 119465694) is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride is Cc1ccccc1C(C)(C)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride?
The InChIKey is CASNWSFTKHQOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c1-14-7-4-5-10-17(14)19(2,3)18(23)22-15-8-6-9-16(13-15)26(24,25)21-12-11-20;/h4-10,13,21H,11-12,20H2,1-3H3,(H,22,23);1H.
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride?
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119465694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).