(Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide

C18H16N2O4S — CID 97456090

IUPAC(Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C\C(=O)NS(=O)(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H16N2O4S/c1-2-24-16-8-3-14(4-9-16)7-12-18(21)20-25(22,23)17-10-5-15(13-19)6-11-17/h3-12H,2H2,1H3,(H,20,21)/b12-7-
InChIKeyNFVKNDCKPOJMNZ-GHXNOFRVSA-N
MW356.40 g/mol
LogP2.48
Rot. Bonds6

About (Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide

(Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 97456090) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is (Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID97456090
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name(Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C\C(=O)NS(=O)(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H16N2O4S/c1-2-24-16-8-3-14(4-9-16)7-12-18(21)20-25(22,23)17-10-5-15(13-19)6-11-17/h3-12H,2H2,1H3,(H,20,21)/b12-7-
InChIKeyNFVKNDCKPOJMNZ-GHXNOFRVSA-N
XLogP2.48
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide
CID 52636492
(E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide
CID 26852058
N-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 103597971
(1E,6E)-1,7-bis(4-ethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 11143033
(E)-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 56534564
(E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9164878
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227042
(E)-N'-(4-ethoxyphenyl)sulfonyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enehydrazide
CID 9270537
2-[3-(4-ethoxyphenyl)prop-2-enoylamino]oxyacetic acid
CID 76873636
(2S,3R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid
CID 104965044
(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227080
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide (CID 97456090) is (Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(/C=C\C(=O)NS(=O)(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of (Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is NFVKNDCKPOJMNZ-GHXNOFRVSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-2-24-16-8-3-14(4-9-16)7-12-18(21)20-25(22,23)17-10-5-15(13-19)6-11-17/h3-12H,2H2,1H3,(H,20,21)/b12-7-.
What are the key properties of (Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide?
(Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 356.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 97456090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).