(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide

C25H25ClN2O4S — CID 55553986

IUPAC(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide
SMILESCOc1ccc(C(C)N(C)C(=O)/C=C/c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C25H25ClN2O4S/c1-18(20-11-13-21(32-3)14-12-20)28(2)25(29)17-10-19-8-15-22(16-9-19)33(30,31)27-24-7-5-4-6-23(24)26/h4-18,27H,1-3H3/b17-10+
InChIKeyBBAMANHTFAXYMF-LICLKQGHSA-N
MW485.01 g/mol
LogP5.38
Rot. Bonds8

About (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide

(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide (PubChem CID 55553986) has the molecular formula C25H25ClN2O4S and a molecular weight of 485.01 g/mol. Its IUPAC name is (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide
PubChem CID55553986
Molecular FormulaC25H25ClN2O4S
Molecular Weight485.01 g/mol
Exact Mass484.12
IUPAC Name(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide
SMILESCOc1ccc(C(C)N(C)C(=O)/C=C/c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C25H25ClN2O4S/c1-18(20-11-13-21(32-3)14-12-20)28(2)25(29)17-10-19-8-15-22(16-9-19)33(30,31)27-24-7-5-4-6-23(24)26/h4-18,27H,1-3H3/b17-10+
InChIKeyBBAMANHTFAXYMF-LICLKQGHSA-N
XLogP5.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.01
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 55561483
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide
CID 26637949
propan-2-yl 2-[[(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]acetate
CID 56551023
(E)-3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]prop-2-enamide
CID 42946005
(E)-N-butyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(2-hydroxyethyl)prop-2-enamide
CID 78856037
(E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 17480995
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
N-(2-chlorophenyl)-4-[(E)-3-(3,5-dimethylpiperidin-1-yl)-3-oxoprop-1-enyl]benzenesulfonamide
CID 42992234
(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 31970765
(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2345488
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 34820303

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide (CID 55553986) is (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide is COc1ccc(C(C)N(C)C(=O)/C=C/c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1.
What is the InChIKey of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide?
The InChIKey is BBAMANHTFAXYMF-LICLKQGHSA-N. The full InChI is InChI=1S/C25H25ClN2O4S/c1-18(20-11-13-21(32-3)14-12-20)28(2)25(29)17-10-19-8-15-22(16-9-19)33(30,31)27-24-7-5-4-6-23(24)26/h4-18,27H,1-3H3/b17-10+.
What are the key properties of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide?
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide has a molecular weight of 485.01 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 55553986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).