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

C18H20N2O3S2 — CID 28591458

IUPAC4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C18H20N2O3S2/c1-4-13-19-18(21)14-5-7-15(8-6-14)20(2)25(22,23)17-11-9-16(24-3)10-12-17/h4-12H,1,13H2,2-3H3,(H,19,21)
InChIKeyABFCYFJCDLLWKA-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.15
Rot. Bonds7

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

4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-prop-2-enylbenzamide (PubChem CID 28591458) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-prop-2-enylbenzamide
PubChem CID28591458
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC Name4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C18H20N2O3S2/c1-4-13-19-18(21)14-5-7-15(8-6-14)20(2)25(22,23)17-11-9-16(24-3)10-12-17/h4-12H,1,13H2,2-3H3,(H,19,21)
InChIKeyABFCYFJCDLLWKA-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(4-prop-2-enoxyphenyl)benzamide
CID 28591543
2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 55413423
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide
CID 2989459
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 28591496
4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide
CID 28633363
4-methylsulfonyl-N-prop-2-enylbenzamide
CID 9442193
N-(4-fluorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49189224
N-(2-methoxyethyl)-2-[[4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 28591540
N-methyl-4-methylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 28591462
N-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 100515884
4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058420
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-prop-2-enylbenzamide (CID 28591458) is 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1.
What is the InChIKey of 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The InChIKey is ABFCYFJCDLLWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-4-13-19-18(21)14-5-7-15(8-6-14)20(2)25(22,23)17-11-9-16(24-3)10-12-17/h4-12H,1,13H2,2-3H3,(H,19,21).
What are the key properties of 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-prop-2-enylbenzamide?
4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-prop-2-enylbenzamide has a molecular weight of 376.50 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 28591458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).