N-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide

C20H20F2N2O3S2 — CID 86610353

IUPACN-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCCc3cc(F)cc(F)c3)s2)c(C)[nH]c1=O
InChIInChI=1S/C20H20F2N2O3S2/c1-3-14-10-17(12(2)24-20(14)25)18-4-5-19(28-18)29(26,27)23-7-6-13-8-15(21)11-16(22)9-13/h4-5,8-11,23H,3,6-7H2,1-2H3,(H,24,25)
InChIKeyDOHJCWRASCHNOF-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.77
Rot. Bonds7

About N-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide

N-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide (PubChem CID 86610353) has the molecular formula C20H20F2N2O3S2 and a molecular weight of 438.52 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
PubChem CID86610353
Molecular FormulaC20H20F2N2O3S2
Molecular Weight438.52 g/mol
Exact Mass438.09
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCCc3cc(F)cc(F)c3)s2)c(C)[nH]c1=O
InChIInChI=1S/C20H20F2N2O3S2/c1-3-14-10-17(12(2)24-20(14)25)18-4-5-19(28-18)29(26,27)23-7-6-13-8-15(21)11-16(22)9-13/h4-5,8-11,23H,3,6-7H2,1-2H3,(H,24,25)
InChIKeyDOHJCWRASCHNOF-UHFFFAOYSA-N
XLogP3.77
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide (CID 86610353) is N-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide is CCc1cc(-c2ccc(S(=O)(=O)NCCc3cc(F)cc(F)c3)s2)c(C)[nH]c1=O.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
The InChIKey is DOHJCWRASCHNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3S2/c1-3-14-10-17(12(2)24-20(14)25)18-4-5-19(28-18)29(26,27)23-7-6-13-8-15(21)11-16(22)9-13/h4-5,8-11,23H,3,6-7H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
N-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide has a molecular weight of 438.52 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 86610353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).