N-(2,6-difluorophenyl)-4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]thiophene-2-carboxamide

C23H18F2N2O4S — CID 57331081

IUPACN-(2,6-difluorophenyl)-4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1ccc(C2=NOC(C)(C)C2=O)cc1-c1csc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C23H18F2N2O4S/c1-23(2)21(28)19(27-31-23)12-7-8-17(30-3)14(9-12)13-10-18(32-11-13)22(29)26-20-15(24)5-4-6-16(20)25/h4-11H,1-3H3,(H,26,29)
InChIKeyPUKRYMISWROLQZ-UHFFFAOYSA-N
MW456.47 g/mol
LogP5.04
Rot. Bonds5

About N-(2,6-difluorophenyl)-4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]thiophene-2-carboxamide

N-(2,6-difluorophenyl)-4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 57331081) has the molecular formula C23H18F2N2O4S and a molecular weight of 456.47 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]thiophene-2-carboxamide
PubChem CID57331081
Molecular FormulaC23H18F2N2O4S
Molecular Weight456.47 g/mol
Exact Mass456.10
IUPAC NameN-(2,6-difluorophenyl)-4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1ccc(C2=NOC(C)(C)C2=O)cc1-c1csc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C23H18F2N2O4S/c1-23(2)21(28)19(27-31-23)12-7-8-17(30-3)14(9-12)13-10-18(32-11-13)22(29)26-20-15(24)5-4-6-16(20)25/h4-11H,1-3H3,(H,26,29)
InChIKeyPUKRYMISWROLQZ-UHFFFAOYSA-N
XLogP5.04
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.47
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-difluorophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107022105
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CID 134044579
N-(2,6-difluorophenyl)-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide
CID 109293971
4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 31509000
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CID 90271579
5-N-(2,6-difluorophenyl)-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108890
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CID 108867921
N-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110439004
4-amino-N-(2,6-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271577
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-fluorobenzamide
CID 16867253
N-(2,6-difluorophenyl)-9-methoxy-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-2-carboxamide
CID 59737950
N-(2,6-difluorophenyl)-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 17027144

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]thiophene-2-carboxamide (CID 57331081) is N-(2,6-difluorophenyl)-4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]thiophene-2-carboxamide is COc1ccc(C2=NOC(C)(C)C2=O)cc1-c1csc(C(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is PUKRYMISWROLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O4S/c1-23(2)21(28)19(27-31-23)12-7-8-17(30-3)14(9-12)13-10-18(32-11-13)22(29)26-20-15(24)5-4-6-16(20)25/h4-11H,1-3H3,(H,26,29).
What are the key properties of N-(2,6-difluorophenyl)-4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]thiophene-2-carboxamide?
N-(2,6-difluorophenyl)-4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 57331081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).