(E)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide

C22H24Cl2N2O3S — CID 108759376

IUPAC(E)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C22H24Cl2N2O3S/c23-20-11-7-17(15-21(20)24)8-12-22(27)25-14-13-16-5-9-19(10-6-16)30(28,29)26-18-3-1-2-4-18/h5-12,15,18,26H,1-4,13-14H2,(H,25,27)/b12-8+
InChIKeyCYUMTXKZIDZSST-XYOKQWHBSA-N
MW467.42 g/mol
LogP4.59
Rot. Bonds8

About (E)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide

(E)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide (PubChem CID 108759376) has the molecular formula C22H24Cl2N2O3S and a molecular weight of 467.42 g/mol. Its IUPAC name is (E)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide
PubChem CID108759376
Molecular FormulaC22H24Cl2N2O3S
Molecular Weight467.42 g/mol
Exact Mass466.09
IUPAC Name(E)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C22H24Cl2N2O3S/c23-20-11-7-17(15-21(20)24)8-12-22(27)25-14-13-16-5-9-19(10-6-16)30(28,29)26-18-3-1-2-4-18/h5-12,15,18,26H,1-4,13-14H2,(H,25,27)/b12-8+
InChIKeyCYUMTXKZIDZSST-XYOKQWHBSA-N
XLogP4.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.42
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide (CID 108759376) is (E)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCc1ccc(S(=O)(=O)NC2CCCC2)cc1.
What is the InChIKey of (E)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide?
The InChIKey is CYUMTXKZIDZSST-XYOKQWHBSA-N. The full InChI is InChI=1S/C22H24Cl2N2O3S/c23-20-11-7-17(15-21(20)24)8-12-22(27)25-14-13-16-5-9-19(10-6-16)30(28,29)26-18-3-1-2-4-18/h5-12,15,18,26H,1-4,13-14H2,(H,25,27)/b12-8+.
What are the key properties of (E)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide?
(E)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide has a molecular weight of 467.42 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 108759376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).