4-(4-fluorophenyl)-5-methyl-N-[3-(5-oxopyrrolidin-3-yl)phenyl]thiophene-2-carboxamide

C22H19FN2O2S — CID 119042722

IUPAC4-(4-fluorophenyl)-5-methyl-N-[3-(5-oxopyrrolidin-3-yl)phenyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cccc(C3CNC(=O)C3)c2)cc1-c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O2S/c1-13-19(14-5-7-17(23)8-6-14)11-20(28-13)22(27)25-18-4-2-3-15(9-18)16-10-21(26)24-12-16/h2-9,11,16H,10,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyKKUPXABXGYGNJC-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.72
Rot. Bonds4

About 4-(4-fluorophenyl)-5-methyl-N-[3-(5-oxopyrrolidin-3-yl)phenyl]thiophene-2-carboxamide

4-(4-fluorophenyl)-5-methyl-N-[3-(5-oxopyrrolidin-3-yl)phenyl]thiophene-2-carboxamide (PubChem CID 119042722) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methyl-N-[3-(5-oxopyrrolidin-3-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methyl-N-[3-(5-oxopyrrolidin-3-yl)phenyl]thiophene-2-carboxamide
PubChem CID119042722
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC Name4-(4-fluorophenyl)-5-methyl-N-[3-(5-oxopyrrolidin-3-yl)phenyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cccc(C3CNC(=O)C3)c2)cc1-c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O2S/c1-13-19(14-5-7-17(23)8-6-14)11-20(28-13)22(27)25-18-4-2-3-15(9-18)16-10-21(26)24-12-16/h2-9,11,16H,10,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyKKUPXABXGYGNJC-UHFFFAOYSA-N
XLogP4.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methyl-N-[3-(5-oxopyrrolidin-3-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-methyl-N-[3-(5-oxopyrrolidin-3-yl)phenyl]thiophene-2-carboxamide (CID 119042722) is 4-(4-fluorophenyl)-5-methyl-N-[3-(5-oxopyrrolidin-3-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methyl-N-[3-(5-oxopyrrolidin-3-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-methyl-N-[3-(5-oxopyrrolidin-3-yl)phenyl]thiophene-2-carboxamide is Cc1sc(C(=O)Nc2cccc(C3CNC(=O)C3)c2)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-methyl-N-[3-(5-oxopyrrolidin-3-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is KKUPXABXGYGNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c1-13-19(14-5-7-17(23)8-6-14)11-20(28-13)22(27)25-18-4-2-3-15(9-18)16-10-21(26)24-12-16/h2-9,11,16H,10,12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-(4-fluorophenyl)-5-methyl-N-[3-(5-oxopyrrolidin-3-yl)phenyl]thiophene-2-carboxamide?
4-(4-fluorophenyl)-5-methyl-N-[3-(5-oxopyrrolidin-3-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methyl-N-[3-(5-oxopyrrolidin-3-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 119042722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).