N-(1-benzoylpyrrolidin-3-yl)thiophene-2-carboxamide

C16H16N2O2S — CID 53016415

IUPACN-(1-benzoylpyrrolidin-3-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2)C1)c1cccs1
InChIInChI=1S/C16H16N2O2S/c19-15(14-7-4-10-21-14)17-13-8-9-18(11-13)16(20)12-5-2-1-3-6-12/h1-7,10,13H,8-9,11H2,(H,17,19)
InChIKeyKHJNTTDBUVOXIZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.39
Rot. Bonds3

About N-(1-benzoylpyrrolidin-3-yl)thiophene-2-carboxamide

N-(1-benzoylpyrrolidin-3-yl)thiophene-2-carboxamide (PubChem CID 53016415) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(1-benzoylpyrrolidin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzoylpyrrolidin-3-yl)thiophene-2-carboxamide
PubChem CID53016415
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(1-benzoylpyrrolidin-3-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2)C1)c1cccs1
InChIInChI=1S/C16H16N2O2S/c19-15(14-7-4-10-21-14)17-13-8-9-18(11-13)16(20)12-5-2-1-3-6-12/h1-7,10,13H,8-9,11H2,(H,17,19)
InChIKeyKHJNTTDBUVOXIZ-UHFFFAOYSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzoylpyrrolidin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-benzoylpyrrolidin-3-yl)thiophene-2-carboxamide (CID 53016415) is N-(1-benzoylpyrrolidin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzoylpyrrolidin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-benzoylpyrrolidin-3-yl)thiophene-2-carboxamide is O=C(NC1CCN(C(=O)c2ccccc2)C1)c1cccs1.
What is the InChIKey of N-(1-benzoylpyrrolidin-3-yl)thiophene-2-carboxamide?
The InChIKey is KHJNTTDBUVOXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-15(14-7-4-10-21-14)17-13-8-9-18(11-13)16(20)12-5-2-1-3-6-12/h1-7,10,13H,8-9,11H2,(H,17,19).
What are the key properties of N-(1-benzoylpyrrolidin-3-yl)thiophene-2-carboxamide?
N-(1-benzoylpyrrolidin-3-yl)thiophene-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoylpyrrolidin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 53016415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).