N-(benzenesulfonyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide

C23H26N2O7S — CID 68685087

IUPACN-(benzenesulfonyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide
SMILESCOc1ccc([C@@H]2CC(=O)N(CC(=O)NS(=O)(=O)c3ccccc3)C2)cc1OC1CCCO1
InChIInChI=1S/C23H26N2O7S/c1-30-19-10-9-16(12-20(19)32-23-8-5-11-31-23)17-13-22(27)25(14-17)15-21(26)24-33(28,29)18-6-3-2-4-7-18/h2-4,6-7,9-10,12,17,23H,5,8,11,13-15H2,1H3,(H,24,26)/t17-,23?/m1/s1
InChIKeyRGRKMJQVZMFSNW-LIXIDFRTSA-N
MW474.54 g/mol
LogP2.03
Rot. Bonds8

About N-(benzenesulfonyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide

N-(benzenesulfonyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide (PubChem CID 68685087) has the molecular formula C23H26N2O7S and a molecular weight of 474.54 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide
PubChem CID68685087
Molecular FormulaC23H26N2O7S
Molecular Weight474.54 g/mol
Exact Mass474.15
IUPAC NameN-(benzenesulfonyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide
SMILESCOc1ccc([C@@H]2CC(=O)N(CC(=O)NS(=O)(=O)c3ccccc3)C2)cc1OC1CCCO1
InChIInChI=1S/C23H26N2O7S/c1-30-19-10-9-16(12-20(19)32-23-8-5-11-31-23)17-13-22(27)25(14-17)15-21(26)24-33(28,29)18-6-3-2-4-7-18/h2-4,6-7,9-10,12,17,23H,5,8,11,13-15H2,1H3,(H,24,26)/t17-,23?/m1/s1
InChIKeyRGRKMJQVZMFSNW-LIXIDFRTSA-N
XLogP2.03
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide?
The IUPAC name of N-(benzenesulfonyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide (CID 68685087) is N-(benzenesulfonyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide is COc1ccc([C@@H]2CC(=O)N(CC(=O)NS(=O)(=O)c3ccccc3)C2)cc1OC1CCCO1.
What is the InChIKey of N-(benzenesulfonyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide?
The InChIKey is RGRKMJQVZMFSNW-LIXIDFRTSA-N. The full InChI is InChI=1S/C23H26N2O7S/c1-30-19-10-9-16(12-20(19)32-23-8-5-11-31-23)17-13-22(27)25(14-17)15-21(26)24-33(28,29)18-6-3-2-4-7-18/h2-4,6-7,9-10,12,17,23H,5,8,11,13-15H2,1H3,(H,24,26)/t17-,23?/m1/s1.
What are the key properties of N-(benzenesulfonyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide?
N-(benzenesulfonyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide has a molecular weight of 474.54 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide is sourced from PubChem (CID 68685087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).