N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide

C22H20N2O4S — CID 70978968

IUPACN-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCCOc1ccc(S(=O)(=O)c2ccc(NC(=O)C=Cc3cccnc3)cc2)cc1
InChIInChI=1S/C22H20N2O4S/c1-2-28-19-8-12-21(13-9-19)29(26,27)20-10-6-18(7-11-20)24-22(25)14-5-17-4-3-15-23-16-17/h3-16H,2H2,1H3,(H,24,25)
InChIKeyCHVCNIMCNWXYPO-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.96
Rot. Bonds7

About N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide

N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 70978968) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID70978968
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCCOc1ccc(S(=O)(=O)c2ccc(NC(=O)C=Cc3cccnc3)cc2)cc1
InChIInChI=1S/C22H20N2O4S/c1-2-28-19-8-12-21(13-9-19)29(26,27)20-10-6-18(7-11-20)24-22(25)14-5-17-4-3-15-23-16-17/h3-16H,2H2,1H3,(H,24,25)
InChIKeyCHVCNIMCNWXYPO-UHFFFAOYSA-N
XLogP3.96
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.96
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)-N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70978966
N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 123684252
3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 171152896
[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 3644922
N-cyclopentyl-3-[4-(3-pyridin-3-ylprop-2-enoylamino)phenyl]sulfonylbenzamide
CID 70978965
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 74659842
(E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 110488978
(E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 90407764
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-N-(4-ethoxyphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55616869
(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227080

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide (CID 70978968) is N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide is CCOc1ccc(S(=O)(=O)c2ccc(NC(=O)C=Cc3cccnc3)cc2)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is CHVCNIMCNWXYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-2-28-19-8-12-21(13-9-19)29(26,27)20-10-6-18(7-11-20)24-22(25)14-5-17-4-3-15-23-16-17/h3-16H,2H2,1H3,(H,24,25).
What are the key properties of N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide?
N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 408.48 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 70978968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).