3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide

C25H25ClN2O4S — CID 2447527

IUPAC3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCc2ccc(OC)cc2)c1
InChIInChI=1S/C25H25ClN2O4S/c1-3-17-28(24-10-5-4-9-23(24)26)33(30,31)22-8-6-7-20(18-22)25(29)27-16-15-19-11-13-21(32-2)14-12-19/h3-14,18H,1,15-17H2,2H3,(H,27,29)
InChIKeyPJCQKJPUSIDEPZ-UHFFFAOYSA-N
MW485.01 g/mol
LogP4.70
Rot. Bonds10

About 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide

3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 2447527) has the molecular formula C25H25ClN2O4S and a molecular weight of 485.01 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID2447527
Molecular FormulaC25H25ClN2O4S
Molecular Weight485.01 g/mol
Exact Mass484.12
IUPAC Name3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCc2ccc(OC)cc2)c1
InChIInChI=1S/C25H25ClN2O4S/c1-3-17-28(24-10-5-4-9-23(24)26)33(30,31)22-8-6-7-20(18-22)25(29)27-16-15-19-11-13-21(32-2)14-12-19/h3-14,18H,1,15-17H2,2H3,(H,27,29)
InChIKeyPJCQKJPUSIDEPZ-UHFFFAOYSA-N
XLogP4.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-sulfamoylphenyl)-2-(4-methoxyphenyl)acetamide
CID 71764609
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 2472408
4-chloro-N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 16277775
2-chloro-N-(2-methoxyphenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356335
2-[3-(Diethylsulfamoyl)benzamido]-N-(4-methoxyphenyl)benzamide
CID 4651552
2-chloro-N-(3-{N-[(4-methoxyphenyl)sulfonyl]ethanehydrazonoyl}phenyl)benzamide
CID 5431769
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-3-chloro-N-hydroxy-benzamide
CID 9846437
N-[4-[[3-(hydroxyamino)-3-oxopropyl]-[2-(4-methoxyphenyl)ethyl]sulfamoyl]phenyl]benzamide
CID 9870477
1-(2-Chloro-phenyl)-4-(4-methanesulfonyl-phenyl)-3-(4-methoxy-phenyl)-1,5-dihydro-pyrrol-2-one
CID 44293775
2-chloro-N-[2-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]benzamide
CID 122192247
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
N-(3,4-dichlorophenyl)-4-({[(3-methoxyphenyl)sulfonyl]amino}methyl)benzamide
CID 984403

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 2447527) is 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide is C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCc2ccc(OC)cc2)c1.
What is the InChIKey of 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is PJCQKJPUSIDEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O4S/c1-3-17-28(24-10-5-4-9-23(24)26)33(30,31)22-8-6-7-20(18-22)25(29)27-16-15-19-11-13-21(32-2)14-12-19/h3-14,18H,1,15-17H2,2H3,(H,27,29).
What are the key properties of 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 485.01 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 2447527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).