3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide

C15H20N2O4S — CID 134034707

IUPAC3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
SMILESCS(=O)(=O)CCC(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C15H20N2O4S/c1-22(20,21)10-8-14(18)16-11-12-4-6-13(7-5-12)17-9-2-3-15(17)19/h4-7H,2-3,8-11H2,1H3,(H,16,18)
InChIKeyHIMXSUAQALPBCJ-UHFFFAOYSA-N
MW324.40 g/mol
LogP0.86
Rot. Bonds6

About 3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide

3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide (PubChem CID 134034707) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
PubChem CID134034707
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
SMILESCS(=O)(=O)CCC(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C15H20N2O4S/c1-22(20,21)10-8-14(18)16-11-12-4-6-13(7-5-12)17-9-2-3-15(17)19/h4-7H,2-3,8-11H2,1H3,(H,16,18)
InChIKeyHIMXSUAQALPBCJ-UHFFFAOYSA-N
XLogP0.86
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
3-(azocan-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 91797431
4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
CID 119749212
3-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 8589520
2-[(R)-ethylsulfinyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 97228046
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9305669
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
3-(2-oxo-1-pyridinyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 86979553
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18119409

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The IUPAC name of 3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide (CID 134034707) is 3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for 3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide is CS(=O)(=O)CCC(=O)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The InChIKey is HIMXSUAQALPBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-22(20,21)10-8-14(18)16-11-12-4-6-13(7-5-12)17-9-2-3-15(17)19/h4-7H,2-3,8-11H2,1H3,(H,16,18).
What are the key properties of 3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide has a molecular weight of 324.40 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 134034707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).