N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide

C22H20N2O3S — CID 1329810

IUPACN-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NC(=O)C=Cc3ccccc3)cc2)c1
InChIInChI=1S/C22H20N2O3S/c1-17-6-5-9-20(16-17)24-28(26,27)21-13-11-19(12-14-21)23-22(25)15-10-18-7-3-2-4-8-18/h2-16,24H,1H3,(H,23,25)
InChIKeyYPVCPPAIZLHIHS-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.45
Rot. Bonds6

About N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide

N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide (PubChem CID 1329810) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
PubChem CID1329810
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NC(=O)C=Cc3ccccc3)cc2)c1
InChIInChI=1S/C22H20N2O3S/c1-17-6-5-9-20(16-17)24-28(26,27)21-13-11-19(12-14-21)23-22(25)15-10-18-7-3-2-4-8-18/h2-16,24H,1H3,(H,23,25)
InChIKeyYPVCPPAIZLHIHS-UHFFFAOYSA-N
XLogP4.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.45
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

(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1106549
(Z)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 2179282
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6128596
(E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 1220149
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 884609
(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide
CID 51280623
3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4052068
(E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 6128957
(E)-N-[4-[(3-bromophenyl)sulfamoyl]phenyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 86573937
3-(3-methylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 72530821
(E)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 55349221

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide (CID 1329810) is N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide is Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)C=Cc3ccccc3)cc2)c1.
What is the InChIKey of N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
The InChIKey is YPVCPPAIZLHIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-17-6-5-9-20(16-17)24-28(26,27)21-13-11-19(12-14-21)23-22(25)15-10-18-7-3-2-4-8-18/h2-16,24H,1H3,(H,23,25).
What are the key properties of N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide has a molecular weight of 392.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 1329810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).