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

C17H18N2O3S — CID 57217486

IUPACN-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H18N2O3S/c1-3-17(20)18-12-14-6-10-16(11-7-14)23(21,22)19-15-8-4-13(2)5-9-15/h3-11,19H,1,12H2,2H3,(H,18,20)
InChIKeyNCWHSTHTSULHGU-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.60
Rot. Bonds6

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

N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide (PubChem CID 57217486) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide
PubChem CID57217486
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H18N2O3S/c1-3-17(20)18-12-14-6-10-16(11-7-14)23(21,22)19-15-8-4-13(2)5-9-15/h3-11,19H,1,12H2,2H3,(H,18,20)
InChIKeyNCWHSTHTSULHGU-UHFFFAOYSA-N
XLogP2.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.60
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

N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
CID 57203958
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide
CID 57096689
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
4-[(4-methylphenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 35742323
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 3943831
4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 65481186
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 16643195
4-[(4-methylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767206
N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 66675297
4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689392
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide (CID 57217486) is N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide is C=CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide?
The InChIKey is NCWHSTHTSULHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-3-17(20)18-12-14-6-10-16(11-7-14)23(21,22)19-15-8-4-13(2)5-9-15/h3-11,19H,1,12H2,2H3,(H,18,20).
What are the key properties of N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide?
N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide has a molecular weight of 330.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 57217486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).