N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide

C19H25N3O3S — CID 119499223

IUPACN-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCC(C)N)c2)cc1
InChIInChI=1S/C19H25N3O3S/c1-13-4-7-16(8-5-13)22-26(24,25)17-9-6-14(2)18(12-17)19(23)21-11-10-15(3)20/h4-9,12,15,22H,10-11,20H2,1-3H3,(H,21,23)
InChIKeyFGJXTKKUVFBPEM-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.57
Rot. Bonds7

About N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide

N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 119499223) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID119499223
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCC(C)N)c2)cc1
InChIInChI=1S/C19H25N3O3S/c1-13-4-7-16(8-5-13)22-26(24,25)17-9-6-14(2)18(12-17)19(23)21-11-10-15(3)20/h4-9,12,15,22H,10-11,20H2,1-3H3,(H,21,23)
InChIKeyFGJXTKKUVFBPEM-UHFFFAOYSA-N
XLogP2.57
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119630221
N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 119497804
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000
N-(cyclopropylmethyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 24670405
N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119496133
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
N-[2-(benzylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 36698057
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 55347863
N-(3-aminobutyl)-2,4-dimethylbenzamide
CID 63254051
N-cyclohexyl-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 26534981
N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 31282050

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide (CID 119499223) is N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCC(C)N)c2)cc1.
What is the InChIKey of N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is FGJXTKKUVFBPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-13-4-7-16(8-5-13)22-26(24,25)17-9-6-14(2)18(12-17)19(23)21-11-10-15(3)20/h4-9,12,15,22H,10-11,20H2,1-3H3,(H,21,23).
What are the key properties of N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 375.49 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-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 119499223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).