(E)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide

C16H15NO3S — CID 11098648

IUPAC(E)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide
SMILESCc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H15NO3S/c1-13-7-10-15(11-8-13)21(19,20)17-16(18)12-9-14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)/b12-9+
InChIKeyWKPGCKTWPKWOIC-FMIVXFBMSA-N
MW301.37 g/mol
LogP2.51
Rot. Bonds4

About (E)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide

(E)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide (PubChem CID 11098648) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is (E)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide
PubChem CID11098648
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name(E)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide
SMILESCc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H15NO3S/c1-13-7-10-15(11-8-13)21(19,20)17-16(18)12-9-14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)/b12-9+
InChIKeyWKPGCKTWPKWOIC-FMIVXFBMSA-N
XLogP2.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide (CID 11098648) is (E)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide is Cc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide?
The InChIKey is WKPGCKTWPKWOIC-FMIVXFBMSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-13-7-10-15(11-8-13)21(19,20)17-16(18)12-9-14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)/b12-9+.
What are the key properties of (E)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide?
(E)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide has a molecular weight of 301.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide is sourced from PubChem (CID 11098648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).