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

C17H18N2O3S — CID 68803257

IUPAC2-methyl-N-[2-[(2-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccccc1S(=O)(=O)Nc1ccccc1C
InChIInChI=1S/C17H18N2O3S/c1-12(2)17(20)18-15-10-6-7-11-16(15)23(21,22)19-14-9-5-4-8-13(14)3/h4-11,19H,1H2,2-3H3,(H,18,20)
InChIKeyFPSALEOYHQGMBJ-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.31
Rot. Bonds5

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

2-methyl-N-[2-[(2-methylphenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 68803257) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-methyl-N-[2-[(2-methylphenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(2-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID68803257
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-methyl-N-[2-[(2-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccccc1S(=O)(=O)Nc1ccccc1C
InChIInChI=1S/C17H18N2O3S/c1-12(2)17(20)18-15-10-6-7-11-16(15)23(21,22)19-14-9-5-4-8-13(14)3/h4-11,19H,1H2,2-3H3,(H,18,20)
InChIKeyFPSALEOYHQGMBJ-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-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
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N-[2-[(2-methylphenyl)sulfonylamino]phenyl]acetamide
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2-methyl-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 18668318
N-(2-methylphenyl)-2-oxopropanamide
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2-methyl-N-[methylidene-(2-methylphenyl)-oxo-λ6-sulfanyl]aniline
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N-(2-methylphenyl)-2-nitrobenzenesulfonamide
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N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779
N-[2-(methanesulfonamido)phenyl]-2-methylbenzenesulfonamide
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3-methyl-N-(2-methylphenyl)-2-sulfanylbut-2-enamide
CID 170032570
N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3581351
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
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CID 86634478

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(2-methylphenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-[(2-methylphenyl)sulfamoyl]phenyl]prop-2-enamide (CID 68803257) is 2-methyl-N-[2-[(2-methylphenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-[(2-methylphenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-[(2-methylphenyl)sulfamoyl]phenyl]prop-2-enamide is C=C(C)C(=O)Nc1ccccc1S(=O)(=O)Nc1ccccc1C.
What is the InChIKey of 2-methyl-N-[2-[(2-methylphenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is FPSALEOYHQGMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12(2)17(20)18-15-10-6-7-11-16(15)23(21,22)19-14-9-5-4-8-13(14)3/h4-11,19H,1H2,2-3H3,(H,18,20).
What are the key properties of 2-methyl-N-[2-[(2-methylphenyl)sulfamoyl]phenyl]prop-2-enamide?
2-methyl-N-[2-[(2-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-[(2-methylphenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 68803257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).