2-anilino-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide

C17H18N2O3S — CID 164824104

IUPAC2-anilino-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide
SMILESCS(=O)(=O)/C=C/CNC(=O)c1ccccc1Nc1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-23(21,22)13-7-12-18-17(20)15-10-5-6-11-16(15)19-14-8-3-2-4-9-14/h2-11,13,19H,12H2,1H3,(H,18,20)/b13-7+
InChIKeyZJJWSSREDGPCGJ-NTUHNPAUSA-N
MW330.41 g/mol
LogP2.72
Rot. Bonds6

About 2-anilino-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide

2-anilino-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide (PubChem CID 164824104) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-anilino-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide.

Molecular Properties

Compound Name2-anilino-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide
PubChem CID164824104
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-anilino-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide
SMILESCS(=O)(=O)/C=C/CNC(=O)c1ccccc1Nc1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-23(21,22)13-7-12-18-17(20)15-10-5-6-11-16(15)19-14-8-3-2-4-9-14/h2-11,13,19H,12H2,1H3,(H,18,20)/b13-7+
InChIKeyZJJWSSREDGPCGJ-NTUHNPAUSA-N
XLogP2.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(E)-3-methylsulfonylprop-2-enyl]naphthalene-1-carboxamide
CID 139029465
2-anilino-N-(2-methoxyethyl)benzamide
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bis(2-anilinophenyl)methanone
CID 141301141
2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide
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2-anilino-N-(pyridin-4-ylmethyl)benzamide
CID 17396496
2-anilino-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 55616235
2-anilino-N-(1-hydroxypropan-2-yl)benzamide
CID 110887420
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
2-(methylamino)-N-(3-methylbut-2-enyl)benzamide
CID 106191072
2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide
CID 71904660
N-benzyl-2-(pyridin-4-ylamino)benzamide
CID 24821329
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 27232143

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide?
The IUPAC name of 2-anilino-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide (CID 164824104) is 2-anilino-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide.
What is the SMILES notation for 2-anilino-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide?
The canonical SMILES for 2-anilino-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide is CS(=O)(=O)/C=C/CNC(=O)c1ccccc1Nc1ccccc1.
What is the InChIKey of 2-anilino-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide?
The InChIKey is ZJJWSSREDGPCGJ-NTUHNPAUSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-23(21,22)13-7-12-18-17(20)15-10-5-6-11-16(15)19-14-8-3-2-4-9-14/h2-11,13,19H,12H2,1H3,(H,18,20)/b13-7+.
What are the key properties of 2-anilino-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide?
2-anilino-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide has a molecular weight of 330.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide is sourced from PubChem (CID 164824104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).