N-[(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide

C16H15FN2O2S — CID 97244416

IUPACN-[(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCN1C(=O)C[C@H](NC(=O)c2cccs2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O2S/c1-19-14(20)9-12(18-16(21)13-3-2-8-22-13)15(19)10-4-6-11(17)7-5-10/h2-8,12,15H,9H2,1H3,(H,18,21)/t12-,15+/m0/s1
InChIKeyODSLHFAQRAQJHA-SWLSCSKDSA-N
MW318.37 g/mol
LogP2.59
Rot. Bonds3

About N-[(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide

N-[(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 97244416) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID97244416
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC NameN-[(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCN1C(=O)C[C@H](NC(=O)c2cccs2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O2S/c1-19-14(20)9-12(18-16(21)13-3-2-8-22-13)15(19)10-4-6-11(17)7-5-10/h2-8,12,15H,9H2,1H3,(H,18,21)/t12-,15+/m0/s1
InChIKeyODSLHFAQRAQJHA-SWLSCSKDSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide (CID 97244416) is N-[(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide is CN1C(=O)C[C@H](NC(=O)c2cccs2)[C@H]1c1ccc(F)cc1.
What is the InChIKey of N-[(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is ODSLHFAQRAQJHA-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c1-19-14(20)9-12(18-16(21)13-3-2-8-22-13)15(19)10-4-6-11(17)7-5-10/h2-8,12,15H,9H2,1H3,(H,18,21)/t12-,15+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
N-[(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 97244416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).