(E)-N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-phenylethenesulfonamide

C22H26N2O4S — CID 90609060

IUPAC(E)-N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCCN1CCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H26N2O4S/c25-29(26,16-10-18-5-2-1-3-6-18)23-11-13-24-12-4-7-20(24)19-8-9-21-22(17-19)28-15-14-27-21/h1-3,5-6,8-10,16-17,20,23H,4,7,11-15H2/b16-10+
InChIKeyRGODMSNHUHCBIV-MHWRWJLKSA-N
MW414.53 g/mol
LogP3.18
Rot. Bonds7

About (E)-N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-phenylethenesulfonamide

(E)-N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-phenylethenesulfonamide (PubChem CID 90609060) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is (E)-N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-phenylethenesulfonamide
PubChem CID90609060
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name(E)-N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCCN1CCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H26N2O4S/c25-29(26,16-10-18-5-2-1-3-6-18)23-11-13-24-12-4-7-20(24)19-8-9-21-22(17-19)28-15-14-27-21/h1-3,5-6,8-10,16-17,20,23H,4,7,11-15H2/b16-10+
InChIKeyRGODMSNHUHCBIV-MHWRWJLKSA-N
XLogP3.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (E)-N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-phenylethenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]cyclopropanesulfonamide
CID 90609072
N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]propane-2-sulfonamide
CID 90609074
N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90609083
N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2,4-difluorobenzenesulfonamide
CID 90609048
N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 90609053
N-benzyl-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 27074533
N-(2-chlorophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propanamide
CID 46681491
4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]butanenitrile
CID 94468427
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-methoxypropyl)pyrrolidine
CID 94394264
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-methoxypropyl)pyrrolidine
CID 94394263
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-ethyl-N-phenylacetamide
CID 47014042
1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 46802382

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-phenylethenesulfonamide (CID 90609060) is (E)-N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-phenylethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)NCCN1CCCC1c1ccc2c(c1)OCCO2.
What is the InChIKey of (E)-N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-phenylethenesulfonamide?
The InChIKey is RGODMSNHUHCBIV-MHWRWJLKSA-N. The full InChI is InChI=1S/C22H26N2O4S/c25-29(26,16-10-18-5-2-1-3-6-18)23-11-13-24-12-4-7-20(24)19-8-9-21-22(17-19)28-15-14-27-21/h1-3,5-6,8-10,16-17,20,23H,4,7,11-15H2/b16-10+.
What are the key properties of (E)-N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-phenylethenesulfonamide?
(E)-N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-phenylethenesulfonamide has a molecular weight of 414.53 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 90609060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).