N-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-phenylbenzenesulfonamide

C20H24N2O4S — CID 7613142

IUPACN-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-2-22(17-8-4-3-5-9-17)27(24,25)19-12-10-18(11-13-19)26-16-20(23)21-14-6-7-15-21/h3-5,8-13H,2,6-7,14-16H2,1H3
InChIKeyFTELJAYWXKAAOQ-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.90
Rot. Bonds7

About N-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-phenylbenzenesulfonamide

N-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-phenylbenzenesulfonamide (PubChem CID 7613142) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-phenylbenzenesulfonamide
PubChem CID7613142
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-2-22(17-8-4-3-5-9-17)27(24,25)19-12-10-18(11-13-19)26-16-20(23)21-14-6-7-15-21/h3-5,8-13H,2,6-7,14-16H2,1H3
InChIKeyFTELJAYWXKAAOQ-UHFFFAOYSA-N
XLogP2.90
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-phenylbenzenesulfonamide?
The IUPAC name of N-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-phenylbenzenesulfonamide (CID 7613142) is N-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-phenylbenzenesulfonamide?
The canonical SMILES for N-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-phenylbenzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1.
What is the InChIKey of N-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-phenylbenzenesulfonamide?
The InChIKey is FTELJAYWXKAAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-2-22(17-8-4-3-5-9-17)27(24,25)19-12-10-18(11-13-19)26-16-20(23)21-14-6-7-15-21/h3-5,8-13H,2,6-7,14-16H2,1H3.
What are the key properties of N-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-phenylbenzenesulfonamide?
N-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-phenylbenzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 7613142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).