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

C14H17ClN2O4S — CID 166541506

IUPAC2-[1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)CC1CCC(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O4S/c1-22(20,21)16-13(18)8-12-5-6-14(19)17(12)9-10-3-2-4-11(15)7-10/h2-4,7,12H,5-6,8-9H2,1H3,(H,16,18)
InChIKeyFAKOIVISXBENKK-UHFFFAOYSA-N
MW344.82 g/mol
LogP1.30
Rot. Bonds5

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

2-[1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide (PubChem CID 166541506) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide
PubChem CID166541506
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC Name2-[1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)CC1CCC(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O4S/c1-22(20,21)16-13(18)8-12-5-6-14(19)17(12)9-10-3-2-4-11(15)7-10/h2-4,7,12H,5-6,8-9H2,1H3,(H,16,18)
InChIKeyFAKOIVISXBENKK-UHFFFAOYSA-N
XLogP1.30
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide (CID 166541506) is 2-[1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide is CS(=O)(=O)NC(=O)CC1CCC(=O)N1Cc1cccc(Cl)c1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide?
The InChIKey is FAKOIVISXBENKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4S/c1-22(20,21)16-13(18)8-12-5-6-14(19)17(12)9-10-3-2-4-11(15)7-10/h2-4,7,12H,5-6,8-9H2,1H3,(H,16,18).
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide?
2-[1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide has a molecular weight of 344.82 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide is sourced from PubChem (CID 166541506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).