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

C16H15ClN2O2S — CID 45187441

IUPACN-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
SMILESO=C(NC1CC(=O)N(Cc2ccccc2Cl)C1)c1ccsc1
InChIInChI=1S/C16H15ClN2O2S/c17-14-4-2-1-3-11(14)8-19-9-13(7-15(19)20)18-16(21)12-5-6-22-10-12/h1-6,10,13H,7-9H2,(H,18,21)
InChIKeyBQTLOYRINDBRRV-UHFFFAOYSA-N
MW334.83 g/mol
LogP2.93
Rot. Bonds4

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

N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide (PubChem CID 45187441) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
PubChem CID45187441
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
SMILESO=C(NC1CC(=O)N(Cc2ccccc2Cl)C1)c1ccsc1
InChIInChI=1S/C16H15ClN2O2S/c17-14-4-2-1-3-11(14)8-19-9-13(7-15(19)20)18-16(21)12-5-6-22-10-12/h1-6,10,13H,7-9H2,(H,18,21)
InChIKeyBQTLOYRINDBRRV-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 42392664
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 26333932
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 26333935
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide
CID 95709758
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 45177959
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide
CID 28785782
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 45238063
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 95710228
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]but-3-enamide
CID 42395266
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
CID 45222736
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 42394735
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 45226916

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide (CID 45187441) is N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide is O=C(NC1CC(=O)N(Cc2ccccc2Cl)C1)c1ccsc1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide?
The InChIKey is BQTLOYRINDBRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c17-14-4-2-1-3-11(14)8-19-9-13(7-15(19)20)18-16(21)12-5-6-22-10-12/h1-6,10,13H,7-9H2,(H,18,21).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide?
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide has a molecular weight of 334.83 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 45187441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).