N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

C23H22N2O4S — CID 2082409

IUPACN-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C23H22N2O4S/c1-3-16-25(19-11-5-4-6-12-19)30(27,28)20-13-9-10-18(17-20)23(26)24-21-14-7-8-15-22(21)29-2/h3-15,17H,1,16H2,2H3,(H,24,26)
InChIKeyMOKBEKBNTGYTJO-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.33
Rot. Bonds8

About N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 2082409) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID2082409
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC NameN-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C23H22N2O4S/c1-3-16-25(19-11-5-4-6-12-19)30(27,28)20-13-9-10-18(17-20)23(26)24-21-14-7-8-15-22(21)29-2/h3-15,17H,1,16H2,2H3,(H,24,26)
InChIKeyMOKBEKBNTGYTJO-UHFFFAOYSA-N
XLogP4.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.33
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

3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 26914975
N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2600003
N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 26095075
N-(4-ethoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 4799866
N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 24980717
N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2623054
3-[ethyl(phenyl)sulfamoyl]-N-(2-propoxyphenyl)benzamide
CID 112793585
N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 3357015
4-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 2084993
N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16547658
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 35727860

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (CID 2082409) is N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2OC)c1.
What is the InChIKey of N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is MOKBEKBNTGYTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-3-16-25(19-11-5-4-6-12-19)30(27,28)20-13-9-10-18(17-20)23(26)24-21-14-7-8-15-22(21)29-2/h3-15,17H,1,16H2,2H3,(H,24,26).
What are the key properties of N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 422.51 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 2082409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).