N-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide

C15H24N2O3S — CID 65042610

IUPACN-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide
SMILESCCC(CC)(CC)NC(=O)c1ccc(S(N)(=O)=O)cc1C
InChIInChI=1S/C15H24N2O3S/c1-5-15(6-2,7-3)17-14(18)13-9-8-12(10-11(13)4)21(16,19)20/h8-10H,5-7H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyZMGMNNMLXPQFBA-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.34
Rot. Bonds6

About N-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide

N-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide (PubChem CID 65042610) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide
PubChem CID65042610
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide
SMILESCCC(CC)(CC)NC(=O)c1ccc(S(N)(=O)=O)cc1C
InChIInChI=1S/C15H24N2O3S/c1-5-15(6-2,7-3)17-14(18)13-9-8-12(10-11(13)4)21(16,19)20/h8-10H,5-7H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyZMGMNNMLXPQFBA-UHFFFAOYSA-N
XLogP2.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
CID 63228100
N-[3-(chloromethyl)pentan-3-yl]-4-fluoro-2-methylbenzamide
CID 113400388
N-[3-(aminomethyl)pentan-3-yl]-2-methyl-5-methylsulfonylbenzamide
CID 119570598
2-ethyl-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide
CID 106331553
N-but-3-yn-2-yl-2-methyl-4-sulfamoylbenzamide
CID 114418677
2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide
CID 115326819
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methyl-4-nitrobenzamide
CID 107867842
4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
CID 65380198
4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzamide
CID 107843435
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluoro-2-methylbenzamide
CID 114008483
formyl 2-methyl-4-sulfamoylbenzoate
CID 155177337
2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 62922364

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide (CID 65042610) is N-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide is CCC(CC)(CC)NC(=O)c1ccc(S(N)(=O)=O)cc1C.
What is the InChIKey of N-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide?
The InChIKey is ZMGMNNMLXPQFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-15(6-2,7-3)17-14(18)13-9-8-12(10-11(13)4)21(16,19)20/h8-10H,5-7H2,1-4H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide?
N-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide has a molecular weight of 312.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide is sourced from PubChem (CID 65042610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).