2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide

C17H18N2O3S — CID 22483839

IUPAC2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccccc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H18N2O3S/c1-12(2)17(20)18-15-6-4-5-7-16(15)23(21,22)19-14-10-8-13(3)9-11-14/h4-11,19H,1H2,2-3H3,(H,18,20)
InChIKeyPSNBNWQKQSOLBU-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.31
Rot. Bonds5

About 2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide

2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 22483839) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID22483839
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccccc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H18N2O3S/c1-12(2)17(20)18-15-6-4-5-7-16(15)23(21,22)19-14-10-8-13(3)9-11-14/h4-11,19H,1H2,2-3H3,(H,18,20)
InChIKeyPSNBNWQKQSOLBU-UHFFFAOYSA-N
XLogP3.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[(2-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 68803257
N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 22483846
2-methyl-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 18668318
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080
N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide
CID 112988408
ethyl 4-[[2-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylamino]benzoate
CID 138617468
N-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
CID 58715951
N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide
CID 10580102
N-[2-[(2-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093732
N-[2-[(4-propylphenyl)sulfamoyl]phenyl]propanamide
CID 142971954
2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 67951859
N-[2-(4-methylanilino)phenyl]acetamide
CID 21106134

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide (CID 22483839) is 2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide is C=C(C)C(=O)Nc1ccccc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is PSNBNWQKQSOLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12(2)17(20)18-15-6-4-5-7-16(15)23(21,22)19-14-10-8-13(3)9-11-14/h4-11,19H,1H2,2-3H3,(H,18,20).
What are the key properties of 2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide?
2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 330.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 22483839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).