4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(4-prop-2-enoxyphenyl)benzamide

C24H24N2O4S2 — CID 28591543

IUPAC4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(4-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(SC)cc3)cc2)cc1
InChIInChI=1S/C24H24N2O4S2/c1-4-17-30-21-11-7-19(8-12-21)25-24(27)18-5-9-20(10-6-18)26(2)32(28,29)23-15-13-22(31-3)14-16-23/h4-16H,1,17H2,2-3H3,(H,25,27)
InChIKeyACOADVWGHOZGFN-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.05
Rot. Bonds9

About 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(4-prop-2-enoxyphenyl)benzamide

4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(4-prop-2-enoxyphenyl)benzamide (PubChem CID 28591543) has the molecular formula C24H24N2O4S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(4-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(4-prop-2-enoxyphenyl)benzamide
PubChem CID28591543
Molecular FormulaC24H24N2O4S2
Molecular Weight468.60 g/mol
Exact Mass468.12
IUPAC Name4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(4-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(SC)cc3)cc2)cc1
InChIInChI=1S/C24H24N2O4S2/c1-4-17-30-21-11-7-19(8-12-21)25-24(27)18-5-9-20(10-6-18)26(2)32(28,29)23-15-13-22(31-3)14-16-23/h4-16H,1,17H2,2-3H3,(H,25,27)
InChIKeyACOADVWGHOZGFN-UHFFFAOYSA-N
XLogP5.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide
CID 100501598
4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 28591458
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 2227381
N-(4-ethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1265486
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide
CID 2228680
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)benzamide
CID 1289268
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
CID 8623651
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
4-[[2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]-N-methylbenzamide
CID 55333054
N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 4945151

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(4-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(4-prop-2-enoxyphenyl)benzamide (CID 28591543) is 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(4-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(4-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(4-prop-2-enoxyphenyl)benzamide is C=CCOc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(SC)cc3)cc2)cc1.
What is the InChIKey of 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(4-prop-2-enoxyphenyl)benzamide?
The InChIKey is ACOADVWGHOZGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S2/c1-4-17-30-21-11-7-19(8-12-21)25-24(27)18-5-9-20(10-6-18)26(2)32(28,29)23-15-13-22(31-3)14-16-23/h4-16H,1,17H2,2-3H3,(H,25,27).
What are the key properties of 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(4-prop-2-enoxyphenyl)benzamide?
4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(4-prop-2-enoxyphenyl)benzamide has a molecular weight of 468.60 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(4-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 28591543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).