4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide

C23H22N2O3S — CID 2975458

IUPAC4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide
SMILESC=CCN(c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C23H22N2O3S/c1-3-17-25(29(2,27)28)20-15-13-19(14-16-20)23(26)24-22-12-8-7-11-21(22)18-9-5-4-6-10-18/h3-16H,1,17H2,2H3,(H,24,26)
InChIKeyJQIZTYIVNRIYRF-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.56
Rot. Bonds7

About 4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide

4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide (PubChem CID 2975458) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide
PubChem CID2975458
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide
SMILESC=CCN(c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C23H22N2O3S/c1-3-17-25(29(2,27)28)20-15-13-19(14-16-20)23(26)24-22-12-8-7-11-21(22)18-9-5-4-6-10-18/h3-16H,1,17H2,2H3,(H,24,26)
InChIKeyJQIZTYIVNRIYRF-UHFFFAOYSA-N
XLogP4.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 967212
4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide
CID 967226
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide
CID 982641
N-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 5023290
N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 2973027
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide
CID 21173638
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(2-phenylphenyl)acetamide
CID 126124352
N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 961960
4-[methylsulfonyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)benzamide
CID 100511540
4-[methylsulfonyl(prop-2-enyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100519859
N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide
CID 67807537
4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide
CID 1363161

Frequently Asked Questions

What is the IUPAC name of 4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide?
The IUPAC name of 4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide (CID 2975458) is 4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide.
What is the SMILES notation for 4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide?
The canonical SMILES for 4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide is C=CCN(c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide?
The InChIKey is JQIZTYIVNRIYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-3-17-25(29(2,27)28)20-15-13-19(14-16-20)23(26)24-22-12-8-7-11-21(22)18-9-5-4-6-10-18/h3-16H,1,17H2,2H3,(H,24,26).
What are the key properties of 4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide?
4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide has a molecular weight of 406.51 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide is sourced from PubChem (CID 2975458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).