N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluoro-4-methylcyclohexyl)oxyphenyl]ethenesulfonamide

C23H29FN2O4S — CID 163760305

IUPACN-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluoro-4-methylcyclohexyl)oxyphenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(OC2CCC(C)(F)CC2)c(-c2cc(CC)c(=O)n(C)c2)c1
InChIInChI=1S/C23H29FN2O4S/c1-5-16-13-17(15-26(4)22(16)27)20-14-18(25-31(28,29)6-2)7-8-21(20)30-19-9-11-23(3,24)12-10-19/h6-8,13-15,19,25H,2,5,9-12H2,1,3-4H3
InChIKeyGIDORSCZEPOVDV-UHFFFAOYSA-N
MW448.56 g/mol
LogP4.55
Rot. Bonds7

About N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluoro-4-methylcyclohexyl)oxyphenyl]ethenesulfonamide

N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluoro-4-methylcyclohexyl)oxyphenyl]ethenesulfonamide (PubChem CID 163760305) has the molecular formula C23H29FN2O4S and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluoro-4-methylcyclohexyl)oxyphenyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluoro-4-methylcyclohexyl)oxyphenyl]ethenesulfonamide
PubChem CID163760305
Molecular FormulaC23H29FN2O4S
Molecular Weight448.56 g/mol
Exact Mass448.18
IUPAC NameN-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluoro-4-methylcyclohexyl)oxyphenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(OC2CCC(C)(F)CC2)c(-c2cc(CC)c(=O)n(C)c2)c1
InChIInChI=1S/C23H29FN2O4S/c1-5-16-13-17(15-26(4)22(16)27)20-14-18(25-31(28,29)6-2)7-8-21(20)30-19-9-11-23(3,24)12-10-19/h6-8,13-15,19,25H,2,5,9-12H2,1,3-4H3
InChIKeyGIDORSCZEPOVDV-UHFFFAOYSA-N
XLogP4.55
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluoro-4-methylcyclohexyl)oxyphenyl]ethenesulfonamide?
The IUPAC name of N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluoro-4-methylcyclohexyl)oxyphenyl]ethenesulfonamide (CID 163760305) is N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluoro-4-methylcyclohexyl)oxyphenyl]ethenesulfonamide.
What is the SMILES notation for N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluoro-4-methylcyclohexyl)oxyphenyl]ethenesulfonamide?
The canonical SMILES for N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluoro-4-methylcyclohexyl)oxyphenyl]ethenesulfonamide is C=CS(=O)(=O)Nc1ccc(OC2CCC(C)(F)CC2)c(-c2cc(CC)c(=O)n(C)c2)c1.
What is the InChIKey of N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluoro-4-methylcyclohexyl)oxyphenyl]ethenesulfonamide?
The InChIKey is GIDORSCZEPOVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O4S/c1-5-16-13-17(15-26(4)22(16)27)20-14-18(25-31(28,29)6-2)7-8-21(20)30-19-9-11-23(3,24)12-10-19/h6-8,13-15,19,25H,2,5,9-12H2,1,3-4H3.
What are the key properties of N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluoro-4-methylcyclohexyl)oxyphenyl]ethenesulfonamide?
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluoro-4-methylcyclohexyl)oxyphenyl]ethenesulfonamide has a molecular weight of 448.56 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluoro-4-methylcyclohexyl)oxyphenyl]ethenesulfonamide is sourced from PubChem (CID 163760305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).