(E)-N-ethyl-2-phenyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]ethenesulfonamide

C22H28N2O2S — CID 55986751

IUPAC(E)-N-ethyl-2-phenyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]ethenesulfonamide
SMILESCCN(C1CCN(C(C)c2ccccc2)C1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C22H28N2O2S/c1-3-24(27(25,26)17-15-20-10-6-4-7-11-20)22-14-16-23(18-22)19(2)21-12-8-5-9-13-21/h4-13,15,17,19,22H,3,14,16,18H2,1-2H3/b17-15+
InChIKeyDOJRHNLKOUCTJG-BMRADRMJSA-N
MW384.55 g/mol
LogP4.14
Rot. Bonds7

About (E)-N-ethyl-2-phenyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]ethenesulfonamide

(E)-N-ethyl-2-phenyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]ethenesulfonamide (PubChem CID 55986751) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is (E)-N-ethyl-2-phenyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-ethyl-2-phenyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]ethenesulfonamide
PubChem CID55986751
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name(E)-N-ethyl-2-phenyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]ethenesulfonamide
SMILESCCN(C1CCN(C(C)c2ccccc2)C1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C22H28N2O2S/c1-3-24(27(25,26)17-15-20-10-6-4-7-11-20)22-14-16-23(18-22)19(2)21-12-8-5-9-13-21/h4-13,15,17,19,22H,3,14,16,18H2,1-2H3/b17-15+
InChIKeyDOJRHNLKOUCTJG-BMRADRMJSA-N
XLogP4.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-2-phenyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]ethenesulfonamide?
The IUPAC name of (E)-N-ethyl-2-phenyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]ethenesulfonamide (CID 55986751) is (E)-N-ethyl-2-phenyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]ethenesulfonamide.
What is the SMILES notation for (E)-N-ethyl-2-phenyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]ethenesulfonamide?
The canonical SMILES for (E)-N-ethyl-2-phenyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]ethenesulfonamide is CCN(C1CCN(C(C)c2ccccc2)C1)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-ethyl-2-phenyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]ethenesulfonamide?
The InChIKey is DOJRHNLKOUCTJG-BMRADRMJSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-3-24(27(25,26)17-15-20-10-6-4-7-11-20)22-14-16-23(18-22)19(2)21-12-8-5-9-13-21/h4-13,15,17,19,22H,3,14,16,18H2,1-2H3/b17-15+.
What are the key properties of (E)-N-ethyl-2-phenyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]ethenesulfonamide?
(E)-N-ethyl-2-phenyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]ethenesulfonamide has a molecular weight of 384.55 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-2-phenyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]ethenesulfonamide is sourced from PubChem (CID 55986751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).