N-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide

C14H22N2O3S — CID 65388918

IUPACN-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
SMILESCCN(CC(C)C)C(=O)c1cc(C)cc(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-5-16(9-10(2)3)14(17)12-6-11(4)7-13(8-12)20(15,18)19/h6-8,10H,5,9H2,1-4H3,(H2,15,18,19)
InChIKeyVXFPCUCVXBAJID-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.76
Rot. Bonds5

About N-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide

N-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide (PubChem CID 65388918) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
PubChem CID65388918
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
SMILESCCN(CC(C)C)C(=O)c1cc(C)cc(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-5-16(9-10(2)3)14(17)12-6-11(4)7-13(8-12)20(15,18)19/h6-8,10H,5,9H2,1-4H3,(H2,15,18,19)
InChIKeyVXFPCUCVXBAJID-UHFFFAOYSA-N
XLogP1.76
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,3-dimethyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65387190
N,N-diethyl-3-fluoro-5-sulfamoylbenzamide
CID 65375543
N-ethyl-3-methyl-N-(2-pyridin-4-ylethyl)-5-sulfamoylbenzamide
CID 110678066
N-ethyl-3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
CID 115999998
3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide
CID 115327411
4-methylpentyl 3-methyl-5-sulfamoylbenzoate
CID 65380672
2-amino-N-ethyl-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 113378994
butan-2-yl 3-methyl-5-sulfamoylbenzoate
CID 65380816
N-hexyl-3-methyl-5-sulfamoylbenzamide
CID 65380984
N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide
CID 79818559
3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 65386461
N-benzyl-N,3-dimethyl-5-sulfamoylbenzamide
CID 110678045

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide?
The IUPAC name of N-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide (CID 65388918) is N-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide.
What is the SMILES notation for N-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide?
The canonical SMILES for N-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide is CCN(CC(C)C)C(=O)c1cc(C)cc(S(N)(=O)=O)c1.
What is the InChIKey of N-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide?
The InChIKey is VXFPCUCVXBAJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-16(9-10(2)3)14(17)12-6-11(4)7-13(8-12)20(15,18)19/h6-8,10H,5,9H2,1-4H3,(H2,15,18,19).
What are the key properties of N-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide?
N-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide has a molecular weight of 298.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65388918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).