N-(1-benzyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide

C16H16N2O2S — CID 56826628

IUPACN-(1-benzyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide
SMILESO=C(NC1CC(=O)N(Cc2ccccc2)C1)c1ccsc1
InChIInChI=1S/C16H16N2O2S/c19-15-8-14(17-16(20)13-6-7-21-11-13)10-18(15)9-12-4-2-1-3-5-12/h1-7,11,14H,8-10H2,(H,17,20)
InChIKeyBJASAEPJTMOPPY-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.28
Rot. Bonds4

About N-(1-benzyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide

N-(1-benzyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide (PubChem CID 56826628) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(1-benzyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide
PubChem CID56826628
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(1-benzyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide
SMILESO=C(NC1CC(=O)N(Cc2ccccc2)C1)c1ccsc1
InChIInChI=1S/C16H16N2O2S/c19-15-8-14(17-16(20)13-6-7-21-11-13)10-18(15)9-12-4-2-1-3-5-12/h1-7,11,14H,8-10H2,(H,17,20)
InChIKeyBJASAEPJTMOPPY-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide?
The IUPAC name of N-(1-benzyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide (CID 56826628) is N-(1-benzyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(1-benzyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide is O=C(NC1CC(=O)N(Cc2ccccc2)C1)c1ccsc1.
What is the InChIKey of N-(1-benzyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide?
The InChIKey is BJASAEPJTMOPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-15-8-14(17-16(20)13-6-7-21-11-13)10-18(15)9-12-4-2-1-3-5-12/h1-7,11,14H,8-10H2,(H,17,20).
What are the key properties of N-(1-benzyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide?
N-(1-benzyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 56826628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).