2-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]thiophene-2,4-dicarboxamide

C16H15FN2O2S — CID 95616963

IUPAC2-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)N[C@H](c2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C16H15FN2O2S/c17-12-5-3-10(4-6-12)14(9-1-2-9)19-16(21)13-7-11(8-22-13)15(18)20/h3-9,14H,1-2H2,(H2,18,20)(H,19,21)/t14-/m0/s1
InChIKeyGPRPENKTSHFDML-AWEZNQCLSA-N
MW318.37 g/mol
LogP2.87
Rot. Bonds5

About 2-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]thiophene-2,4-dicarboxamide

2-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]thiophene-2,4-dicarboxamide (PubChem CID 95616963) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]thiophene-2,4-dicarboxamide
PubChem CID95616963
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name2-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)N[C@H](c2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C16H15FN2O2S/c17-12-5-3-10(4-6-12)14(9-1-2-9)19-16(21)13-7-11(8-22-13)15(18)20/h3-9,14H,1-2H2,(H2,18,20)(H,19,21)/t14-/m0/s1
InChIKeyGPRPENKTSHFDML-AWEZNQCLSA-N
XLogP2.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]thiophene-2,4-dicarboxamide?
The IUPAC name of 2-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]thiophene-2,4-dicarboxamide (CID 95616963) is 2-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]thiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]thiophene-2,4-dicarboxamide is NC(=O)c1csc(C(=O)N[C@H](c2ccc(F)cc2)C2CC2)c1.
What is the InChIKey of 2-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]thiophene-2,4-dicarboxamide?
The InChIKey is GPRPENKTSHFDML-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c17-12-5-3-10(4-6-12)14(9-1-2-9)19-16(21)13-7-11(8-22-13)15(18)20/h3-9,14H,1-2H2,(H2,18,20)(H,19,21)/t14-/m0/s1.
What are the key properties of 2-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]thiophene-2,4-dicarboxamide?
2-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]thiophene-2,4-dicarboxamide has a molecular weight of 318.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 95616963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).