N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C11H13ClN2O2S — CID 78982035

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)C1CNC(=O)C1
InChIInChI=1S/C11H13ClN2O2S/c1-14(6-8-2-3-9(12)17-8)11(16)7-4-10(15)13-5-7/h2-3,7H,4-6H2,1H3,(H,13,15)
InChIKeyAHMCOCQNKBMJSZ-UHFFFAOYSA-N
MW272.76 g/mol
LogP1.50
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982035) has the molecular formula C11H13ClN2O2S and a molecular weight of 272.76 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID78982035
Molecular FormulaC11H13ClN2O2S
Molecular Weight272.76 g/mol
Exact Mass272.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)C1CNC(=O)C1
InChIInChI=1S/C11H13ClN2O2S/c1-14(6-8-2-3-9(12)17-8)11(16)7-4-10(15)13-5-7/h2-3,7H,4-6H2,1H3,(H,13,15)
InChIKeyAHMCOCQNKBMJSZ-UHFFFAOYSA-N
XLogP1.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78982133
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76894872
(3S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51970288
cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide
CID 97033065
N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide
CID 130639217
N-[(5-chlorothiophen-2-yl)methyl]-N-methylazepane-1-carboxamide
CID 116654598
N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide
CID 115158927
N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35706852
N-[(5-chlorothiophen-2-yl)methyl]-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-methylacetamide
CID 79410702
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-3-ylacetamide
CID 62675072
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62491611

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 78982035) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(Cc1ccc(Cl)s1)C(=O)C1CNC(=O)C1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AHMCOCQNKBMJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2S/c1-14(6-8-2-3-9(12)17-8)11(16)7-4-10(15)13-5-7/h2-3,7H,4-6H2,1H3,(H,13,15).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 272.76 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).