2-ethyl-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide

C15H24N2O3S — CID 106331553

IUPAC2-ethyl-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide
SMILESCCc1ccc(S(N)(=O)=O)cc1C(=O)NC(C)(CC)CC
InChIInChI=1S/C15H24N2O3S/c1-5-11-8-9-12(21(16,19)20)10-13(11)14(18)17-15(4,6-2)7-3/h8-10H,5-7H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyBJIFMLAGFOVZJZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.20
Rot. Bonds6

About 2-ethyl-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide

2-ethyl-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide (PubChem CID 106331553) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-ethyl-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-ethyl-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide
PubChem CID106331553
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-ethyl-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide
SMILESCCc1ccc(S(N)(=O)=O)cc1C(=O)NC(C)(CC)CC
InChIInChI=1S/C15H24N2O3S/c1-5-11-8-9-12(21(16,19)20)10-13(11)14(18)17-15(4,6-2)7-3/h8-10H,5-7H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyBJIFMLAGFOVZJZ-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide
CID 65042610
2-ethyl-4-sulfamoylbenzoic acid
CID 68595259
2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide
CID 114944541
5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 113235186
4-amino-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 114174106
2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid
CID 114199869
5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549076
4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide
CID 106331541
3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 114174076
4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide
CID 103863806
5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331363
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide?
The IUPAC name of 2-ethyl-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide (CID 106331553) is 2-ethyl-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-ethyl-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-ethyl-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide is CCc1ccc(S(N)(=O)=O)cc1C(=O)NC(C)(CC)CC.
What is the InChIKey of 2-ethyl-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide?
The InChIKey is BJIFMLAGFOVZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-11-8-9-12(21(16,19)20)10-13(11)14(18)17-15(4,6-2)7-3/h8-10H,5-7H2,1-4H3,(H,17,18)(H2,16,19,20).
What are the key properties of 2-ethyl-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide?
2-ethyl-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide has a molecular weight of 312.44 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 106331553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).