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

C25H30N4O4S — CID 92963223

IUPAC(Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)c1
InChIInChI=1S/C25H30N4O4S/c1-4-29(5-2)34(31,32)22-12-13-24(28-14-6-7-15-28)23(17-22)27-25(30)20(18-26)16-19-8-10-21(33-3)11-9-19/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,27,30)/b20-16-
InChIKeyKJUGXTWLDKPJPP-SILNSSARSA-N
MW482.61 g/mol
LogP3.87
Rot. Bonds9

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

(Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 92963223) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is (Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID92963223
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name(Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)c1
InChIInChI=1S/C25H30N4O4S/c1-4-29(5-2)34(31,32)22-12-13-24(28-14-6-7-15-28)23(17-22)27-25(30)20(18-26)16-19-8-10-21(33-3)11-9-19/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,27,30)/b20-16-
InChIKeyKJUGXTWLDKPJPP-SILNSSARSA-N
XLogP3.87
TPSA102.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.87
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'}

Analyze (Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 93034912
(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
ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
CID 33143034
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(2-methoxyethoxy)benzamide
CID 55997175
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-1-benzothiophene-2-carboxamide
CID 16561052
2-cyano-N-(2-methoxyphenyl)-3-(3-methyl-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 3895835
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754
ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate
CID 31504732
(E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 6219257

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide (CID 92963223) is (Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)c1.
What is the InChIKey of (Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is KJUGXTWLDKPJPP-SILNSSARSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-4-29(5-2)34(31,32)22-12-13-24(28-14-6-7-15-28)23(17-22)27-25(30)20(18-26)16-19-8-10-21(33-3)11-9-19/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,27,30)/b20-16-.
What are the key properties of (Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide?
(Z)-2-cyano-N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 482.61 g/mol, XLogP of 3.87, 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-pyrrolidin-1-ylphenyl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 92963223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).