2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide

C16H27N3O3S — CID 119972472

IUPAC2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccccc1S(=O)(=O)NCCC(C)N
InChIInChI=1S/C16H27N3O3S/c1-4-5-12-19(3)16(20)14-8-6-7-9-15(14)23(21,22)18-11-10-13(2)17/h6-9,13,18H,4-5,10-12,17H2,1-3H3
InChIKeyRVQMDKXTZFCJPN-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.57
Rot. Bonds9

About 2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide

2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide (PubChem CID 119972472) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide.

Molecular Properties

Compound Name2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide
PubChem CID119972472
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccccc1S(=O)(=O)NCCC(C)N
InChIInChI=1S/C16H27N3O3S/c1-4-5-12-19(3)16(20)14-8-6-7-9-15(14)23(21,22)18-11-10-13(2)17/h6-9,13,18H,4-5,10-12,17H2,1-3H3
InChIKeyRVQMDKXTZFCJPN-UHFFFAOYSA-N
XLogP1.57
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824520
2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride
CID 119992074
N-butyl-N-methyl-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide
CID 58924138
N-butyl-2,4-dichloro-N-methyl-5-(2-methylpropylsulfamoyl)benzamide
CID 78796282
2-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-N-butyl-N-methylbenzamide;hydrochloride
CID 120665321
2-(ethylamino)-N-methyl-N-(3-methylbutyl)benzamide
CID 62177256
N-(3-aminobutyl)-2-propylsulfonylbenzamide
CID 119498167
N-(3-aminobutyl)-2-methylsulfanylbenzenesulfonamide
CID 120708577
2-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-N-butyl-N-methylbenzamide;hydrochloride
CID 119971953
2-(3-methylbutylsulfamoyl)benzenecarbothioamide
CID 24709997
3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
CID 63251281
N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 119494860

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide?
The IUPAC name of 2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide (CID 119972472) is 2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide.
What is the SMILES notation for 2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide?
The canonical SMILES for 2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide is CCCCN(C)C(=O)c1ccccc1S(=O)(=O)NCCC(C)N.
What is the InChIKey of 2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide?
The InChIKey is RVQMDKXTZFCJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-4-5-12-19(3)16(20)14-8-6-7-9-15(14)23(21,22)18-11-10-13(2)17/h6-9,13,18H,4-5,10-12,17H2,1-3H3.
What are the key properties of 2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide?
2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide has a molecular weight of 341.48 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide is sourced from PubChem (CID 119972472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).