N-ethyl-3-methyl-N-(2-pyridin-4-ylethyl)-5-sulfamoylbenzamide

C17H21N3O3S — CID 110678066

IUPACN-ethyl-3-methyl-N-(2-pyridin-4-ylethyl)-5-sulfamoylbenzamide
SMILESCCN(CCc1ccncc1)C(=O)c1cc(C)cc(S(N)(=O)=O)c1
InChIInChI=1S/C17H21N3O3S/c1-3-20(9-6-14-4-7-19-8-5-14)17(21)15-10-13(2)11-16(12-15)24(18,22)23/h4-5,7-8,10-12H,3,6,9H2,1-2H3,(H2,18,22,23)
InChIKeyIFOWMIRRLJKRPL-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.74
Rot. Bonds6

About N-ethyl-3-methyl-N-(2-pyridin-4-ylethyl)-5-sulfamoylbenzamide

N-ethyl-3-methyl-N-(2-pyridin-4-ylethyl)-5-sulfamoylbenzamide (PubChem CID 110678066) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-(2-pyridin-4-ylethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-(2-pyridin-4-ylethyl)-5-sulfamoylbenzamide
PubChem CID110678066
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-ethyl-3-methyl-N-(2-pyridin-4-ylethyl)-5-sulfamoylbenzamide
SMILESCCN(CCc1ccncc1)C(=O)c1cc(C)cc(S(N)(=O)=O)c1
InChIInChI=1S/C17H21N3O3S/c1-3-20(9-6-14-4-7-19-8-5-14)17(21)15-10-13(2)11-16(12-15)24(18,22)23/h4-5,7-8,10-12H,3,6,9H2,1-2H3,(H2,18,22,23)
InChIKeyIFOWMIRRLJKRPL-UHFFFAOYSA-N
XLogP1.74
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82183845
N-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65388918
4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757168
N-benzyl-N,3-dimethyl-5-sulfamoylbenzamide
CID 110678045
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757164
1-ethyl-3-(4-methylphenyl)sulfonyl-1-(2-pyridin-4-ylethyl)urea
CID 110755015
N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692317
2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110755663
N,N-diethyl-3-fluoro-5-sulfamoylbenzamide
CID 65375543
N-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide
CID 110600687
1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989235

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-(2-pyridin-4-ylethyl)-5-sulfamoylbenzamide?
The IUPAC name of N-ethyl-3-methyl-N-(2-pyridin-4-ylethyl)-5-sulfamoylbenzamide (CID 110678066) is N-ethyl-3-methyl-N-(2-pyridin-4-ylethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for N-ethyl-3-methyl-N-(2-pyridin-4-ylethyl)-5-sulfamoylbenzamide?
The canonical SMILES for N-ethyl-3-methyl-N-(2-pyridin-4-ylethyl)-5-sulfamoylbenzamide is CCN(CCc1ccncc1)C(=O)c1cc(C)cc(S(N)(=O)=O)c1.
What is the InChIKey of N-ethyl-3-methyl-N-(2-pyridin-4-ylethyl)-5-sulfamoylbenzamide?
The InChIKey is IFOWMIRRLJKRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-3-20(9-6-14-4-7-19-8-5-14)17(21)15-10-13(2)11-16(12-15)24(18,22)23/h4-5,7-8,10-12H,3,6,9H2,1-2H3,(H2,18,22,23).
What are the key properties of N-ethyl-3-methyl-N-(2-pyridin-4-ylethyl)-5-sulfamoylbenzamide?
N-ethyl-3-methyl-N-(2-pyridin-4-ylethyl)-5-sulfamoylbenzamide has a molecular weight of 347.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-(2-pyridin-4-ylethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 110678066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).