N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide

C16H27N3O3S — CID 119496133

IUPACN-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCC(C)N)c1
InChIInChI=1S/C16H27N3O3S/c1-5-19(6-2)23(21,22)14-8-7-12(3)15(11-14)16(20)18-10-9-13(4)17/h7-8,11,13H,5-6,9-10,17H2,1-4H3,(H,18,20)
InChIKeyKLHBLNPAIBDFFQ-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.49
Rot. Bonds8

About N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide

N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide (PubChem CID 119496133) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide
PubChem CID119496133
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCC(C)N)c1
InChIInChI=1S/C16H27N3O3S/c1-5-19(6-2)23(21,22)14-8-7-12(3)15(11-14)16(20)18-10-9-13(4)17/h7-8,11,13H,5-6,9-10,17H2,1-4H3,(H,18,20)
InChIKeyKLHBLNPAIBDFFQ-UHFFFAOYSA-N
XLogP1.49
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 2677242
N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 119499223
5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 26177992
5-(diethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-2-methylbenzamide
CID 60565590
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide
CID 60566565
5-(diethylsulfamoyl)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 48731409
N-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 78778551
N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 120569164
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
N-(3-aminobutyl)-2,4-dimethylbenzamide
CID 63254051

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide (CID 119496133) is N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCC(C)N)c1.
What is the InChIKey of N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The InChIKey is KLHBLNPAIBDFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-5-19(6-2)23(21,22)14-8-7-12(3)15(11-14)16(20)18-10-9-13(4)17/h7-8,11,13H,5-6,9-10,17H2,1-4H3,(H,18,20).
What are the key properties of N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide has a molecular weight of 341.48 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 119496133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).