N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide

C20H27N3O4S — CID 27832560

IUPACN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C
InChIInChI=1S/C20H27N3O4S/c1-6-23(7-2)28(25,26)16-12-14(4)15(5)18(13-16)22-19(24)17-10-9-11-21-20(17)27-8-3/h9-13H,6-8H2,1-5H3,(H,22,24)
InChIKeyYCCIIDHOVRRFMT-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.38
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide

N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide (PubChem CID 27832560) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide
PubChem CID27832560
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C
InChIInChI=1S/C20H27N3O4S/c1-6-23(7-2)28(25,26)16-12-14(4)15(5)18(13-16)22-19(24)17-10-9-11-21-20(17)27-8-3/h9-13H,6-8H2,1-5H3,(H,22,24)
InChIKeyYCCIIDHOVRRFMT-UHFFFAOYSA-N
XLogP3.38
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide
CID 8833006
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736021
2-ethoxy-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 7962641
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide
CID 35993068
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dimethylbenzamide
CID 9467095
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55384187
2-ethoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 2579568
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide
CID 26891825
3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]propanamide;hydrochloride
CID 119272848
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 55396241
2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide
CID 38276554

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide (CID 27832560) is N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide?
The InChIKey is YCCIIDHOVRRFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-6-23(7-2)28(25,26)16-12-14(4)15(5)18(13-16)22-19(24)17-10-9-11-21-20(17)27-8-3/h9-13H,6-8H2,1-5H3,(H,22,24).
What are the key properties of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide?
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 27832560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).