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

C20H18F2N2O2S — CID 58808563

IUPACN-[(3,5-difluorophenyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide
SMILESCCc1cc(-c2ccc(C(=O)NCc3cc(F)cc(F)c3)s2)c(C)[nH]c1=O
InChIInChI=1S/C20H18F2N2O2S/c1-3-13-8-16(11(2)24-19(13)25)17-4-5-18(27-17)20(26)23-10-12-6-14(21)9-15(22)7-12/h4-9H,3,10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyCRBYOLLTMMZNQT-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.18
Rot. Bonds5

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

N-[(3,5-difluorophenyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide (PubChem CID 58808563) has the molecular formula C20H18F2N2O2S and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide
PubChem CID58808563
Molecular FormulaC20H18F2N2O2S
Molecular Weight388.44 g/mol
Exact Mass388.11
IUPAC NameN-[(3,5-difluorophenyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide
SMILESCCc1cc(-c2ccc(C(=O)NCc3cc(F)cc(F)c3)s2)c(C)[nH]c1=O
InChIInChI=1S/C20H18F2N2O2S/c1-3-13-8-16(11(2)24-19(13)25)17-4-5-18(27-17)20(26)23-10-12-6-14(21)9-15(22)7-12/h4-9H,3,10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyCRBYOLLTMMZNQT-UHFFFAOYSA-N
XLogP4.18
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide (CID 58808563) is N-[(3,5-difluorophenyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide is CCc1cc(-c2ccc(C(=O)NCc3cc(F)cc(F)c3)s2)c(C)[nH]c1=O.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide?
The InChIKey is CRBYOLLTMMZNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2S/c1-3-13-8-16(11(2)24-19(13)25)17-4-5-18(27-17)20(26)23-10-12-6-14(21)9-15(22)7-12/h4-9H,3,10H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide?
N-[(3,5-difluorophenyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 58808563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).