5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide

C17H17FN2O2S — CID 136578762

IUPAC5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(C(=O)N2CCCC2Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O2S/c18-13-5-3-11(4-6-13)8-14-2-1-7-20(14)17(22)15-9-12(10-23-15)16(19)21/h3-6,9-10,14H,1-2,7-8H2,(H2,19,21)
InChIKeyXBAIUAPOHLGQRM-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.83
Rot. Bonds4

About 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide

5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide (PubChem CID 136578762) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide
PubChem CID136578762
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(C(=O)N2CCCC2Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O2S/c18-13-5-3-11(4-6-13)8-14-2-1-7-20(14)17(22)15-9-12(10-23-15)16(19)21/h3-6,9-10,14H,1-2,7-8H2,(H2,19,21)
InChIKeyXBAIUAPOHLGQRM-UHFFFAOYSA-N
XLogP2.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide
CID 94805691
5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 97041948
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide
CID 154779989
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(hydroxymethyl)-1,3-thiazol-4-yl]methanone
CID 126839363
5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide
CID 120579115
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 84511159
5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 167804825
2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide
CID 110601869
1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 110601864
3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110661811
2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride
CID 141153297

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide?
The IUPAC name of 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide (CID 136578762) is 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide is NC(=O)c1csc(C(=O)N2CCCC2Cc2ccc(F)cc2)c1.
What is the InChIKey of 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide?
The InChIKey is XBAIUAPOHLGQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c18-13-5-3-11(4-6-13)8-14-2-1-7-20(14)17(22)15-9-12(10-23-15)16(19)21/h3-6,9-10,14H,1-2,7-8H2,(H2,19,21).
What are the key properties of 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide?
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide is sourced from PubChem (CID 136578762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).