2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide

C20H24N2O4S — CID 96540819

IUPAC2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H24N2O4S/c1-26-18-9-5-6-10-19(18)27(24,25)21-14-17-13-20(23)22(15-17)12-11-16-7-3-2-4-8-16/h2-10,17,21H,11-15H2,1H3/t17-/m1/s1
InChIKeyBQUDEJHUBGHIQL-QGZVFWFLSA-N
MW388.49 g/mol
LogP2.06
Rot. Bonds8

About 2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide

2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide (PubChem CID 96540819) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
PubChem CID96540819
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H24N2O4S/c1-26-18-9-5-6-10-19(18)27(24,25)21-14-17-13-20(23)22(15-17)12-11-16-7-3-2-4-8-16/h2-10,17,21H,11-15H2,1H3/t17-/m1/s1
InChIKeyBQUDEJHUBGHIQL-QGZVFWFLSA-N
XLogP2.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 110640237
N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]butane-1-sulfonamide
CID 110640225
3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 110640246
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide
CID 110420810
N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 16919890
2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108144
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 16919844
1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one
CID 133348967
3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile
CID 99858269
2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720923
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide
CID 16919832
2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109576

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide (CID 96540819) is 2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)NC[C@H]1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of 2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is BQUDEJHUBGHIQL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-26-18-9-5-6-10-19(18)27(24,25)21-14-17-13-20(23)22(15-17)12-11-16-7-3-2-4-8-16/h2-10,17,21H,11-15H2,1H3/t17-/m1/s1.
What are the key properties of 2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide?
2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 96540819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).