N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C20H24N2O5S — CID 1076846

IUPACN-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H24N2O5S/c1-26-16-10-11-19(27-2)18(14-16)22(15-20(23)21-12-6-7-13-21)28(24,25)17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3
InChIKeyIIMYEPMFBJSBDU-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.52
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 1076846) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID1076846
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H24N2O5S/c1-26-16-10-11-19(27-2)18(14-16)22(15-20(23)21-12-6-7-13-21)28(24,25)17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3
InChIKeyIIMYEPMFBJSBDU-UHFFFAOYSA-N
XLogP2.52
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 1076846) is N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is COc1ccc(OC)c(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is IIMYEPMFBJSBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-26-16-10-11-19(27-2)18(14-16)22(15-20(23)21-12-6-7-13-21)28(24,25)17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 1076846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).