4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide

C13H20N2O3S — CID 65374609

IUPAC4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
SMILESCCc1ccc(C(=O)NCC(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-4-10-5-6-11(7-12(10)19(14,17)18)13(16)15-8-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyPKCXWCPDGYKFPF-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.28
Rot. Bonds5

About 4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide

4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide (PubChem CID 65374609) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
PubChem CID65374609
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
SMILESCCc1ccc(C(=O)NCC(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-4-10-5-6-11(7-12(10)19(14,17)18)13(16)15-8-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyPKCXWCPDGYKFPF-UHFFFAOYSA-N
XLogP1.28
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide
CID 65379984
4-methylpentan-2-yl 4-ethyl-3-sulfamoylbenzoate
CID 65382054
2-methyl-5-(2-methylpropylcarbamoyl)benzenesulfonyl chloride
CID 65367998
4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide
CID 65386263
4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide
CID 65374368
4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide
CID 38768051
4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide
CID 102701176
4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715253
3-amino-4-bromo-N-(2-methylpropyl)benzamide
CID 39369897
3-bromo-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65375571
4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 120653317
3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide
CID 56510951

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide?
The IUPAC name of 4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide (CID 65374609) is 4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide is CCc1ccc(C(=O)NCC(C)C)cc1S(N)(=O)=O.
What is the InChIKey of 4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide?
The InChIKey is PKCXWCPDGYKFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-10-5-6-11(7-12(10)19(14,17)18)13(16)15-8-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of 4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide?
4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide has a molecular weight of 284.38 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65374609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).