N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide

C14H20N2O3S — CID 65389131

IUPACN-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(S(N)(=O)=O)cc(C(=O)NC(C)C2CC2)c1C
InChIInChI=1S/C14H20N2O3S/c1-8-6-12(20(15,18)19)7-13(9(8)2)14(17)16-10(3)11-4-5-11/h6-7,10-11H,4-5H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyZPEVETQPFJMOIK-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.48
Rot. Bonds4

About N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide

N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide (PubChem CID 65389131) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide
PubChem CID65389131
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(S(N)(=O)=O)cc(C(=O)NC(C)C2CC2)c1C
InChIInChI=1S/C14H20N2O3S/c1-8-6-12(20(15,18)19)7-13(9(8)2)14(17)16-10(3)11-4-5-11/h6-7,10-11H,4-5H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyZPEVETQPFJMOIK-UHFFFAOYSA-N
XLogP1.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(1-cyclobutylethyl)-2-methyl-5-sulfamoylbenzamide
CID 107101061
N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide
CID 27884542
methyl (2S)-2-[(2,3-dimethyl-5-sulfamoylbenzoyl)amino]-3-methylbutanoate
CID 125135704
2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65387258
2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide
CID 115769124
N-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 115769138
5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 61290779
N-(1-cyclopropylethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65386253
N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide
CID 65379978
N-(1-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115769101
N-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide
CID 65386252
4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 65387022

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide (CID 65389131) is N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide is Cc1cc(S(N)(=O)=O)cc(C(=O)NC(C)C2CC2)c1C.
What is the InChIKey of N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide?
The InChIKey is ZPEVETQPFJMOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-8-6-12(20(15,18)19)7-13(9(8)2)14(17)16-10(3)11-4-5-11/h6-7,10-11H,4-5H2,1-3H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide?
N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide has a molecular weight of 296.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65389131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).