3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-phenylphenoxy)ethyl]prop-2-enamide

C26H26N2O4S — CID 75920130

IUPAC3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-phenylphenoxy)ethyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(S(=O)(=O)NC2CC2)cc1)NCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C26H26N2O4S/c29-26(17-12-20-10-15-23(16-11-20)33(30,31)28-22-13-14-22)27-18-19-32-25-9-5-4-8-24(25)21-6-2-1-3-7-21/h1-12,15-17,22,28H,13-14,18-19H2,(H,27,29)
InChIKeyILGWMVVCXKEADW-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.00
Rot. Bonds10

About 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-phenylphenoxy)ethyl]prop-2-enamide

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-phenylphenoxy)ethyl]prop-2-enamide (PubChem CID 75920130) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-phenylphenoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-phenylphenoxy)ethyl]prop-2-enamide
PubChem CID75920130
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-phenylphenoxy)ethyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(S(=O)(=O)NC2CC2)cc1)NCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C26H26N2O4S/c29-26(17-12-20-10-15-23(16-11-20)33(30,31)28-22-13-14-22)27-18-19-32-25-9-5-4-8-24(25)21-6-2-1-3-7-21/h1-12,15-17,22,28H,13-14,18-19H2,(H,27,29)
InChIKeyILGWMVVCXKEADW-UHFFFAOYSA-N
XLogP4.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-phenylphenoxy)ethyl]prop-2-enamide?
The IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-phenylphenoxy)ethyl]prop-2-enamide (CID 75920130) is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-phenylphenoxy)ethyl]prop-2-enamide.
What is the SMILES notation for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-phenylphenoxy)ethyl]prop-2-enamide?
The canonical SMILES for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-phenylphenoxy)ethyl]prop-2-enamide is O=C(C=Cc1ccc(S(=O)(=O)NC2CC2)cc1)NCCOc1ccccc1-c1ccccc1.
What is the InChIKey of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-phenylphenoxy)ethyl]prop-2-enamide?
The InChIKey is ILGWMVVCXKEADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c29-26(17-12-20-10-15-23(16-11-20)33(30,31)28-22-13-14-22)27-18-19-32-25-9-5-4-8-24(25)21-6-2-1-3-7-21/h1-12,15-17,22,28H,13-14,18-19H2,(H,27,29).
What are the key properties of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-phenylphenoxy)ethyl]prop-2-enamide?
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-phenylphenoxy)ethyl]prop-2-enamide has a molecular weight of 462.57 g/mol, XLogP of 4.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-phenylphenoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 75920130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).