N-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide

C15H22N2O3S — CID 115769138

IUPACN-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)NC(C)C2CCC2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C15H22N2O3S/c1-9-7-13(8-14(10(9)2)21(16,19)20)15(18)17-11(3)12-5-4-6-12/h7-8,11-12H,4-6H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyBPUADYKFRPBVPH-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.87
Rot. Bonds4

About N-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide

N-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide (PubChem CID 115769138) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide
PubChem CID115769138
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)NC(C)C2CCC2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C15H22N2O3S/c1-9-7-13(8-14(10(9)2)21(16,19)20)15(18)17-11(3)12-5-4-6-12/h7-8,11-12H,4-6H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyBPUADYKFRPBVPH-UHFFFAOYSA-N
XLogP1.87
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide (CID 115769138) is N-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide is Cc1cc(C(=O)NC(C)C2CCC2)cc(S(N)(=O)=O)c1C.
What is the InChIKey of N-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide?
The InChIKey is BPUADYKFRPBVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-9-7-13(8-14(10(9)2)21(16,19)20)15(18)17-11(3)12-5-4-6-12/h7-8,11-12H,4-6H2,1-3H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide?
N-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide has a molecular weight of 310.42 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 115769138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).