4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide

C28H31NO5S — CID 101398637

IUPAC4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide
SMILESCOc1cc(/C=C/CN(C/C=C/c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C28H31NO5S/c1-22-14-16-25(17-15-22)35(30,31)29(18-8-12-23-10-6-5-7-11-23)19-9-13-24-20-26(32-2)28(34-4)27(21-24)33-3/h5-17,20-21H,18-19H2,1-4H3/b12-8+,13-9+
InChIKeyVXEJARFYWZRGOU-QHKWOANTSA-N
MW493.63 g/mol
LogP5.44
Rot. Bonds11

About 4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide

4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide (PubChem CID 101398637) has the molecular formula C28H31NO5S and a molecular weight of 493.63 g/mol. Its IUPAC name is 4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide
PubChem CID101398637
Molecular FormulaC28H31NO5S
Molecular Weight493.63 g/mol
Exact Mass493.19
IUPAC Name4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide
SMILESCOc1cc(/C=C/CN(C/C=C/c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C28H31NO5S/c1-22-14-16-25(17-15-22)35(30,31)29(18-8-12-23-10-6-5-7-11-23)19-9-13-24-20-26(32-2)28(34-4)27(21-24)33-3/h5-17,20-21H,18-19H2,1-4H3/b12-8+,13-9+
InChIKeyVXEJARFYWZRGOU-QHKWOANTSA-N
XLogP5.44
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.63
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 46188827
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 25251457
N-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 169040650
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
CID 121315047
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 100789894
1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 175119653
N-(2,2-dimethoxyethyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 10983024
[1-[3-[(4-methylphenyl)sulfonyl-[(E)-3-phenylprop-2-enyl]amino]prop-1-ynyl]cyclohexyl] acetate
CID 53381148
N-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide
CID 101256221
4-methyl-N-[2-(2-phenylethynyl)phenyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 177481573
4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 11523464
N-(2-azidoprop-2-enyl)-4-methyl-N-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide
CID 135029329

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide (CID 101398637) is 4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide is COc1cc(/C=C/CN(C/C=C/c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide?
The InChIKey is VXEJARFYWZRGOU-QHKWOANTSA-N. The full InChI is InChI=1S/C28H31NO5S/c1-22-14-16-25(17-15-22)35(30,31)29(18-8-12-23-10-6-5-7-11-23)19-9-13-24-20-26(32-2)28(34-4)27(21-24)33-3/h5-17,20-21H,18-19H2,1-4H3/b12-8+,13-9+.
What are the key properties of 4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide?
4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide has a molecular weight of 493.63 g/mol, XLogP of 5.44, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide is sourced from PubChem (CID 101398637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).