(Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide

C26H32N4O4S — CID 93034912

IUPAC(Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)c1
InChIInChI=1S/C26H32N4O4S/c1-4-30(5-2)35(32,33)23-13-14-25(29-15-7-6-8-16-29)24(18-23)28-26(31)21(19-27)17-20-9-11-22(34-3)12-10-20/h9-14,17-18H,4-8,15-16H2,1-3H3,(H,28,31)/b21-17-
InChIKeyJRHIKTBTDZAQNP-FXBPSFAMSA-N
MW496.63 g/mol
LogP4.26
Rot. Bonds9

About (Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide

(Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 93034912) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is (Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID93034912
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC Name(Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)c1
InChIInChI=1S/C26H32N4O4S/c1-4-30(5-2)35(32,33)23-13-14-25(29-15-7-6-8-16-29)24(18-23)28-26(31)21(19-27)17-20-9-11-22(34-3)12-10-20/h9-14,17-18H,4-8,15-16H2,1-3H3,(H,28,31)/b21-17-
InChIKeyJRHIKTBTDZAQNP-FXBPSFAMSA-N
XLogP4.26
TPSA102.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 54.26
H-Bond Donors ≤ 51
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

(Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92963223
(Z)-2-cyano-3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 75408485
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3,5-dimethoxybenzamide
CID 4796940
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-4-prop-2-enoxybenzamide
CID 55577639
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-1-benzothiophene-2-carboxamide
CID 16561052
ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
CID 33143034
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(2-methoxyethoxy)benzamide
CID 55997175
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667323
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60529635
2-cyano-N-(2-methoxyphenyl)-3-(3-methyl-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 3895835

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide (CID 93034912) is (Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)c1.
What is the InChIKey of (Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is JRHIKTBTDZAQNP-FXBPSFAMSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-4-30(5-2)35(32,33)23-13-14-25(29-15-7-6-8-16-29)24(18-23)28-26(31)21(19-27)17-20-9-11-22(34-3)12-10-20/h9-14,17-18H,4-8,15-16H2,1-3H3,(H,28,31)/b21-17-.
What are the key properties of (Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide?
(Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 496.63 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 93034912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).