N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide

C19H22N2O4S — CID 7635904

IUPACN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide
SMILESCOc1cc(NS(=O)(=O)CCc2ccccc2)ccc1N1CCCC1=O
InChIInChI=1S/C19H22N2O4S/c1-25-18-14-16(9-10-17(18)21-12-5-8-19(21)22)20-26(23,24)13-11-15-6-3-2-4-7-15/h2-4,6-7,9-10,14,20H,5,8,11-13H2,1H3
InChIKeyUHQQRDPVJCIXNS-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.81
Rot. Bonds7

About N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide (PubChem CID 7635904) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide
PubChem CID7635904
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide
SMILESCOc1cc(NS(=O)(=O)CCc2ccccc2)ccc1N1CCCC1=O
InChIInChI=1S/C19H22N2O4S/c1-25-18-14-16(9-10-17(18)21-12-5-8-19(21)22)20-26(23,24)13-11-15-6-3-2-4-7-15/h2-4,6-7,9-10,14,20H,5,8,11-13H2,1H3
InChIKeyUHQQRDPVJCIXNS-UHFFFAOYSA-N
XLogP2.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide (CID 7635904) is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide is COc1cc(NS(=O)(=O)CCc2ccccc2)ccc1N1CCCC1=O.
What is the InChIKey of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide?
The InChIKey is UHQQRDPVJCIXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-25-18-14-16(9-10-17(18)21-12-5-8-19(21)22)20-26(23,24)13-11-15-6-3-2-4-7-15/h2-4,6-7,9-10,14,20H,5,8,11-13H2,1H3.
What are the key properties of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide?
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 7635904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).