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

C22H20N2O3S — CID 4928891

IUPACN-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C22H20N2O3S/c25-22(16-11-18-7-3-1-4-8-18)24-20-12-14-21(15-13-20)28(26,27)23-17-19-9-5-2-6-10-19/h1-16,23H,17H2,(H,24,25)
InChIKeyQHUYUZOJKOGZJH-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.82
Rot. Bonds7

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

N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide (PubChem CID 4928891) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide
PubChem CID4928891
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C22H20N2O3S/c25-22(16-11-18-7-3-1-4-8-18)24-20-12-14-21(15-13-20)28(26,27)23-17-19-9-5-2-6-10-19/h1-16,23H,17H2,(H,24,25)
InChIKeyQHUYUZOJKOGZJH-UHFFFAOYSA-N
XLogP3.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.82
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-(benzylsulfamoyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 4045248
N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 4928932
3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 5176366
(E)-N-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]-3-pyridin-4-ylprop-2-enamide
CID 171778513
(E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide
CID 6291291
N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 884609
(E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 40597066
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
(E)-3-pyridin-4-yl-N-[4-[[3-(trifluoromethyl)phenyl]methylsulfamoyl]phenyl]prop-2-enamide
CID 171778581
(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 17102397
(E)-N-[4-[(2-fluorophenyl)methylsulfamoyl]phenyl]-3-pyridin-4-ylprop-2-enamide
CID 171778479
(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide
CID 51280623

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide (CID 4928891) is N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is QHUYUZOJKOGZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c25-22(16-11-18-7-3-1-4-8-18)24-20-12-14-21(15-13-20)28(26,27)23-17-19-9-5-2-6-10-19/h1-16,23H,17H2,(H,24,25).
What are the key properties of N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide?
N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 392.48 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 4928891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).