N-(4-methoxy-3-sulfamoylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C19H22N2O4S — CID 78611118

IUPACN-(4-methoxy-3-sulfamoylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2ccc(C(C)C)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C19H22N2O4S/c1-13(2)15-7-4-14(5-8-15)6-11-19(22)21-16-9-10-17(25-3)18(12-16)26(20,23)24/h4-13H,1-3H3,(H,21,22)(H2,20,23,24)
InChIKeyZCQHJLHUAGXIMP-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.12
Rot. Bonds6

About N-(4-methoxy-3-sulfamoylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

N-(4-methoxy-3-sulfamoylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 78611118) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(4-methoxy-3-sulfamoylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-methoxy-3-sulfamoylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID78611118
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(4-methoxy-3-sulfamoylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2ccc(C(C)C)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C19H22N2O4S/c1-13(2)15-7-4-14(5-8-15)6-11-19(22)21-16-9-10-17(25-3)18(12-16)26(20,23)24/h4-13H,1-3H3,(H,21,22)(H2,20,23,24)
InChIKeyZCQHJLHUAGXIMP-UHFFFAOYSA-N
XLogP3.12
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1121350
(E)-N-(3-acetamido-4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 33309617
(E)-3-(3-methoxyphenyl)-N-(4-methoxy-3-sulfamoylphenyl)prop-2-enamide
CID 24634483
N-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3338109
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
N-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide
CID 67338697
(E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide
CID 107621799
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1069724
(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 967235
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-sulfamoylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of N-(4-methoxy-3-sulfamoylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 78611118) is N-(4-methoxy-3-sulfamoylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-methoxy-3-sulfamoylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for N-(4-methoxy-3-sulfamoylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is COc1ccc(NC(=O)C=Cc2ccc(C(C)C)cc2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methoxy-3-sulfamoylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is ZCQHJLHUAGXIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13(2)15-7-4-14(5-8-15)6-11-19(22)21-16-9-10-17(25-3)18(12-16)26(20,23)24/h4-13H,1-3H3,(H,21,22)(H2,20,23,24).
What are the key properties of N-(4-methoxy-3-sulfamoylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
N-(4-methoxy-3-sulfamoylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 374.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-sulfamoylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 78611118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).