N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide

C18H23N3O3S — CID 119494860

IUPACN-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide
SMILESCC(N)CCNC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C18H23N3O3S/c1-14(19)12-13-20-18(22)16-10-6-7-11-17(16)25(23,24)21(2)15-8-4-3-5-9-15/h3-11,14H,12-13,19H2,1-2H3,(H,20,22)
InChIKeyKRGWSZCXLAKMAI-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.98
Rot. Bonds7

About N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide

N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 119494860) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID119494860
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide
SMILESCC(N)CCNC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C18H23N3O3S/c1-14(19)12-13-20-18(22)16-10-6-7-11-17(16)25(23,24)21(2)15-8-4-3-5-9-15/h3-11,14H,12-13,19H2,1-2H3,(H,20,22)
InChIKeyKRGWSZCXLAKMAI-UHFFFAOYSA-N
XLogP1.98
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxypropyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 78857762
N-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide
CID 95374636
N-(3-aminobutyl)-2-propylsulfonylbenzamide
CID 119498167
N-(3-methylbutyl)-2-sulfamoylbenzamide
CID 43164717
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 2577910
N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119498678
N-(4-fluorophenyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 78775226
N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide
CID 24761812
N-(3-aminobutyl)-2-iodo-3-methylbenzamide
CID 103806260
2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 30548140
N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119497549
N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide
CID 119498074

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide (CID 119494860) is N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide is CC(N)CCNC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1.
What is the InChIKey of N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is KRGWSZCXLAKMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14(19)12-13-20-18(22)16-10-6-7-11-17(16)25(23,24)21(2)15-8-4-3-5-9-15/h3-11,14H,12-13,19H2,1-2H3,(H,20,22).
What are the key properties of N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide?
N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 361.47 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 119494860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).