N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide

C17H21N3O4S — CID 8833006

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H21N3O4S/c1-5-24-17-14(7-6-10-18-17)16(21)19-13-9-8-12(2)15(11-13)25(22,23)20(3)4/h6-11H,5H2,1-4H3,(H,19,21)
InChIKeyUCHACYNGXFKVCM-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.29
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide (PubChem CID 8833006) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide
PubChem CID8833006
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H21N3O4S/c1-5-24-17-14(7-6-10-18-17)16(21)19-13-9-8-12(2)15(11-13)25(22,23)20(3)4/h6-11H,5H2,1-4H3,(H,19,21)
InChIKeyUCHACYNGXFKVCM-UHFFFAOYSA-N
XLogP2.29
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide
CID 3635933
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
N-(3-acetylphenyl)-2-ethoxypyridine-3-carboxamide
CID 7959021
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide
CID 27832560
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 46489174
2-ethoxy-N-[3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 17392452
2-ethoxy-N-pyridin-3-ylpyridine-3-carboxamide
CID 23876862
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide
CID 7930200
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 24617147
2-ethoxy-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide
CID 78838433
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide
CID 112733206

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide (CID 8833006) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide?
The InChIKey is UCHACYNGXFKVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-5-24-17-14(7-6-10-18-17)16(21)19-13-9-8-12(2)15(11-13)25(22,23)20(3)4/h6-11H,5H2,1-4H3,(H,19,21).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 8833006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).