N-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide

C15H22N2O3S — CID 65455448

IUPACN-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide
SMILESCCCCN(C(=O)c1cc(C)ccc1S(N)(=O)=O)C1CC1
InChIInChI=1S/C15H22N2O3S/c1-3-4-9-17(12-6-7-12)15(18)13-10-11(2)5-8-14(13)21(16,19)20/h5,8,10,12H,3-4,6-7,9H2,1-2H3,(H2,16,19,20)
InChIKeyUFJQJCOVIUYHTE-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.05
Rot. Bonds6

About N-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide

N-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide (PubChem CID 65455448) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide
PubChem CID65455448
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide
SMILESCCCCN(C(=O)c1cc(C)ccc1S(N)(=O)=O)C1CC1
InChIInChI=1S/C15H22N2O3S/c1-3-4-9-17(12-6-7-12)15(18)13-10-11(2)5-8-14(13)21(16,19)20/h5,8,10,12H,3-4,6-7,9H2,1-2H3,(H2,16,19,20)
InChIKeyUFJQJCOVIUYHTE-UHFFFAOYSA-N
XLogP2.05
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115612426
2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide
CID 81112858
2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide
CID 81005817
N,N,5-trimethyl-2-sulfamoylbenzamide
CID 65456580
N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide
CID 79116898
N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide
CID 61350342
N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide
CID 103891986
N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide
CID 103887557
N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide
CID 63374918
2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide
CID 60944357
N,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide
CID 65454692
3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide
CID 113386417

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide?
The IUPAC name of N-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide (CID 65455448) is N-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide.
What is the SMILES notation for N-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide?
The canonical SMILES for N-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide is CCCCN(C(=O)c1cc(C)ccc1S(N)(=O)=O)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide?
The InChIKey is UFJQJCOVIUYHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-4-9-17(12-6-7-12)15(18)13-10-11(2)5-8-14(13)21(16,19)20/h5,8,10,12H,3-4,6-7,9H2,1-2H3,(H2,16,19,20).
What are the key properties of N-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide?
N-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide has a molecular weight of 310.42 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide is sourced from PubChem (CID 65455448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).