(E)-N-(4-chlorophenyl)sulfonyl-2-cyano-N,3-bis(4-methoxyphenyl)prop-2-enamide

C24H19ClN2O5S — CID 19212449

IUPAC(E)-N-(4-chlorophenyl)sulfonyl-2-cyano-N,3-bis(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(\C#N)C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClN2O5S/c1-31-21-9-3-17(4-10-21)15-18(16-26)24(28)27(20-7-11-22(32-2)12-8-20)33(29,30)23-13-5-19(25)6-14-23/h3-15H,1-2H3/b18-15+
InChIKeyHSNAEEXGCYKTAU-OBGWFSINSA-N
MW482.95 g/mol
LogP4.69
Rot. Bonds7

About (E)-N-(4-chlorophenyl)sulfonyl-2-cyano-N,3-bis(4-methoxyphenyl)prop-2-enamide

(E)-N-(4-chlorophenyl)sulfonyl-2-cyano-N,3-bis(4-methoxyphenyl)prop-2-enamide (PubChem CID 19212449) has the molecular formula C24H19ClN2O5S and a molecular weight of 482.95 g/mol. Its IUPAC name is (E)-N-(4-chlorophenyl)sulfonyl-2-cyano-N,3-bis(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chlorophenyl)sulfonyl-2-cyano-N,3-bis(4-methoxyphenyl)prop-2-enamide
PubChem CID19212449
Molecular FormulaC24H19ClN2O5S
Molecular Weight482.95 g/mol
Exact Mass482.07
IUPAC Name(E)-N-(4-chlorophenyl)sulfonyl-2-cyano-N,3-bis(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(\C#N)C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClN2O5S/c1-31-21-9-3-17(4-10-21)15-18(16-26)24(28)27(20-7-11-22(32-2)12-8-20)33(29,30)23-13-5-19(25)6-14-23/h3-15H,1-2H3/b18-15+
InChIKeyHSNAEEXGCYKTAU-OBGWFSINSA-N
XLogP4.69
TPSA96.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonyl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
CID 19212453
N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide
CID 1242568
(Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide
CID 5375025
N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide
CID 19211456
N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 2907624
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219172
(E)-3-[4-(dimethylamino)phenyl]-2-(4-methoxybenzoyl)prop-2-enenitrile
CID 8685083
(E)-N-(4-chlorophenyl)sulfonyl-2-cyano-N-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 19212533
(2Z)-2-[(4-methoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 2324707
N'-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylethanimidamide
CID 14640908
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 7868264
(E)-2-cyano-N-(dimethylaminomethylidene)-3-(4-methoxyphenyl)prop-2-enamide
CID 7039959

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chlorophenyl)sulfonyl-2-cyano-N,3-bis(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-chlorophenyl)sulfonyl-2-cyano-N,3-bis(4-methoxyphenyl)prop-2-enamide (CID 19212449) is (E)-N-(4-chlorophenyl)sulfonyl-2-cyano-N,3-bis(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-chlorophenyl)sulfonyl-2-cyano-N,3-bis(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-chlorophenyl)sulfonyl-2-cyano-N,3-bis(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C(\C#N)C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-N-(4-chlorophenyl)sulfonyl-2-cyano-N,3-bis(4-methoxyphenyl)prop-2-enamide?
The InChIKey is HSNAEEXGCYKTAU-OBGWFSINSA-N. The full InChI is InChI=1S/C24H19ClN2O5S/c1-31-21-9-3-17(4-10-21)15-18(16-26)24(28)27(20-7-11-22(32-2)12-8-20)33(29,30)23-13-5-19(25)6-14-23/h3-15H,1-2H3/b18-15+.
What are the key properties of (E)-N-(4-chlorophenyl)sulfonyl-2-cyano-N,3-bis(4-methoxyphenyl)prop-2-enamide?
(E)-N-(4-chlorophenyl)sulfonyl-2-cyano-N,3-bis(4-methoxyphenyl)prop-2-enamide has a molecular weight of 482.95 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chlorophenyl)sulfonyl-2-cyano-N,3-bis(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19212449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).