3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide

C24H24N2O4S — CID 43052353

IUPAC3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1)c1ccccc1
InChIInChI=1S/C24H24N2O4S/c1-4-17-26(21-10-6-5-7-11-21)24(27)19-9-8-12-23(18-19)31(28,29)25(2)20-13-15-22(30-3)16-14-20/h4-16,18H,1,17H2,2-3H3
InChIKeyQTPMWPICEVGFTG-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.35
Rot. Bonds8

About 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide (PubChem CID 43052353) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide
PubChem CID43052353
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1)c1ccccc1
InChIInChI=1S/C24H24N2O4S/c1-4-17-26(21-10-6-5-7-11-21)24(27)19-9-8-12-23(18-19)31(28,29)25(2)20-13-15-22(30-3)16-14-20/h4-16,18H,1,17H2,2-3H3
InChIKeyQTPMWPICEVGFTG-UHFFFAOYSA-N
XLogP4.35
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide
CID 55708466
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851
3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 81258864
N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 31138593
propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18098378
N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119497549
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46520973
3-methyl-N-phenyl-N-prop-2-enylbenzamide
CID 78794859
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide?
The IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide (CID 43052353) is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide is C=CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1)c1ccccc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide?
The InChIKey is QTPMWPICEVGFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-4-17-26(21-10-6-5-7-11-21)24(27)19-9-8-12-23(18-19)31(28,29)25(2)20-13-15-22(30-3)16-14-20/h4-16,18H,1,17H2,2-3H3.
What are the key properties of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide?
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide has a molecular weight of 436.53 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 43052353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).