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

C17H18N2O3S — CID 967226

IUPAC4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide
SMILESC=CCN(c1ccc(C(=O)Nc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H18N2O3S/c1-3-13-19(23(2,21)22)16-11-9-14(10-12-16)17(20)18-15-7-5-4-6-8-15/h3-12H,1,13H2,2H3,(H,18,20)
InChIKeyONJDIPKYIFULPZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.89
Rot. Bonds6

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

4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide (PubChem CID 967226) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide
PubChem CID967226
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide
SMILESC=CCN(c1ccc(C(=O)Nc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H18N2O3S/c1-3-13-19(23(2,21)22)16-11-9-14(10-12-16)17(20)18-15-7-5-4-6-8-15/h3-12H,1,13H2,2H3,(H,18,20)
InChIKeyONJDIPKYIFULPZ-UHFFFAOYSA-N
XLogP2.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.89
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-(2-phenylphenyl)benzamide
CID 2975458
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-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 5023290
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 99971328
N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 2973027
4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide
CID 1363161
N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 961960
4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide
CID 78821935
N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide
CID 67807537
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 133250474

Frequently Asked Questions

What is the IUPAC name of 4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide?
The IUPAC name of 4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide (CID 967226) is 4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide.
What is the SMILES notation for 4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide?
The canonical SMILES for 4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide is C=CCN(c1ccc(C(=O)Nc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide?
The InChIKey is ONJDIPKYIFULPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-3-13-19(23(2,21)22)16-11-9-14(10-12-16)17(20)18-15-7-5-4-6-8-15/h3-12H,1,13H2,2H3,(H,18,20).
What are the key properties of 4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide?
4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide has a molecular weight of 330.41 g/mol, XLogP of 2.89, 6 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-phenylbenzamide is sourced from PubChem (CID 967226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).