2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide

C15H24N2O3S — CID 65387258

IUPAC2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
SMILESCCC(C)C(C)NC(=O)c1cc(S(N)(=O)=O)cc(C)c1C
InChIInChI=1S/C15H24N2O3S/c1-6-9(2)12(5)17-15(18)14-8-13(21(16,19)20)7-10(3)11(14)4/h7-9,12H,6H2,1-5H3,(H,17,18)(H2,16,19,20)
InChIKeyPYQLLCWQTULBQM-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.12
Rot. Bonds5

About 2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide

2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide (PubChem CID 65387258) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
PubChem CID65387258
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
SMILESCCC(C)C(C)NC(=O)c1cc(S(N)(=O)=O)cc(C)c1C
InChIInChI=1S/C15H24N2O3S/c1-6-9(2)12(5)17-15(18)14-8-13(21(16,19)20)7-10(3)11(14)4/h7-9,12H,6H2,1-5H3,(H,17,18)(H2,16,19,20)
InChIKeyPYQLLCWQTULBQM-UHFFFAOYSA-N
XLogP2.12
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide
CID 65379978
methyl (2S)-2-[(2,3-dimethyl-5-sulfamoylbenzoyl)amino]-3-methylbutanoate
CID 125135704
2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388219
5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65389241
N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide
CID 65389131
4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide
CID 79818480
ethyl 2,3-dimethyl-5-sulfamoylbenzoate
CID 63840159
2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide
CID 81478779
2-propan-2-yloxyethyl 2,3-dimethyl-5-sulfamoylbenzoate
CID 65382072
N-butan-2-yl-N-ethyl-2,3-dimethyl-5-sulfamoylbenzamide
CID 65387000
N-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 9257354
2-fluoro-3-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 81478345

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide?
The IUPAC name of 2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide (CID 65387258) is 2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide is CCC(C)C(C)NC(=O)c1cc(S(N)(=O)=O)cc(C)c1C.
What is the InChIKey of 2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide?
The InChIKey is PYQLLCWQTULBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-6-9(2)12(5)17-15(18)14-8-13(21(16,19)20)7-10(3)11(14)4/h7-9,12H,6H2,1-5H3,(H,17,18)(H2,16,19,20).
What are the key properties of 2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide?
2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide has a molecular weight of 312.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65387258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).