N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide

C15H13ClN2O2S — CID 7255580

IUPACN-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccs1
InChIInChI=1S/C15H13ClN2O2S/c16-10-3-5-12(6-4-10)18-9-11(8-14(18)19)17-15(20)13-2-1-7-21-13/h1-7,11H,8-9H2,(H,17,20)/t11-/m1/s1
InChIKeyMFGULFDETHTLPH-LLVKDONJSA-N
MW320.80 g/mol
LogP2.94
Rot. Bonds3

About N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide

N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 7255580) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID7255580
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC NameN-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccs1
InChIInChI=1S/C15H13ClN2O2S/c16-10-3-5-12(6-4-10)18-9-11(8-14(18)19)17-15(20)13-2-1-7-21-13/h1-7,11H,8-9H2,(H,17,20)/t11-/m1/s1
InChIKeyMFGULFDETHTLPH-LLVKDONJSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide (CID 7255580) is N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide is O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccs1.
What is the InChIKey of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is MFGULFDETHTLPH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c16-10-3-5-12(6-4-10)18-9-11(8-14(18)19)17-15(20)13-2-1-7-21-13/h1-7,11H,8-9H2,(H,17,20)/t11-/m1/s1.
What are the key properties of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 320.80 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 7255580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).