(E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-phenylethenesulfonamide

C20H19N3O3S — CID 90554600

IUPAC(E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-phenylethenesulfonamide
SMILESO=C1NCCN1c1ccc(C#CCNS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H19N3O3S/c24-20-21-14-15-23(20)19-10-8-18(9-11-19)7-4-13-22-27(25,26)16-12-17-5-2-1-3-6-17/h1-3,5-6,8-12,16,22H,13-15H2,(H,21,24)/b16-12+
InChIKeyGNXFBNUHJKSXTM-FOWTUZBSSA-N
MW381.46 g/mol
LogP2.16
Rot. Bonds5

About (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-phenylethenesulfonamide

(E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-phenylethenesulfonamide (PubChem CID 90554600) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-phenylethenesulfonamide
PubChem CID90554600
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name(E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-phenylethenesulfonamide
SMILESO=C1NCCN1c1ccc(C#CCNS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H19N3O3S/c24-20-21-14-15-23(20)19-10-8-18(9-11-19)7-4-13-22-27(25,26)16-12-17-5-2-1-3-6-17/h1-3,5-6,8-12,16,22H,13-15H2,(H,21,24)/b16-12+
InChIKeyGNXFBNUHJKSXTM-FOWTUZBSSA-N
XLogP2.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-phenylethenesulfonamide (CID 90554600) is (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-phenylethenesulfonamide is O=C1NCCN1c1ccc(C#CCNS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-phenylethenesulfonamide?
The InChIKey is GNXFBNUHJKSXTM-FOWTUZBSSA-N. The full InChI is InChI=1S/C20H19N3O3S/c24-20-21-14-15-23(20)19-10-8-18(9-11-19)7-4-13-22-27(25,26)16-12-17-5-2-1-3-6-17/h1-3,5-6,8-12,16,22H,13-15H2,(H,21,24)/b16-12+.
What are the key properties of (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-phenylethenesulfonamide?
(E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-phenylethenesulfonamide has a molecular weight of 381.46 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 90554600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).