(Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide

C24H32N6O3S — CID 55961268

IUPAC(Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide
SMILESCCCn1c(C)cc(/C=C(/C#N)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1C
InChIInChI=1S/C24H32N6O3S/c1-4-10-30-19(2)16-21(20(30)3)17-22(18-25)24(31)27-9-15-34(32,33)29-13-11-28(12-14-29)23-7-5-6-8-26-23/h5-8,16-17H,4,9-15H2,1-3H3,(H,27,31)/b22-17-
InChIKeyMFVYZMRQMXRVNJ-XLNRJJMWSA-N
MW484.63 g/mol
LogP2.09
Rot. Bonds9

About (Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide

(Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide (PubChem CID 55961268) has the molecular formula C24H32N6O3S and a molecular weight of 484.63 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide
PubChem CID55961268
Molecular FormulaC24H32N6O3S
Molecular Weight484.63 g/mol
Exact Mass484.23
IUPAC Name(Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide
SMILESCCCn1c(C)cc(/C=C(/C#N)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1C
InChIInChI=1S/C24H32N6O3S/c1-4-10-30-19(2)16-21(20(30)3)17-22(18-25)24(31)27-9-15-34(32,33)29-13-11-28(12-14-29)23-7-5-6-8-26-23/h5-8,16-17H,4,9-15H2,1-3H3,(H,27,31)/b22-17-
InChIKeyMFVYZMRQMXRVNJ-XLNRJJMWSA-N
XLogP2.09
TPSA111.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]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-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]prop-2-enamide
CID 56517827
(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[2-(2-fluorophenyl)ethyl]prop-2-enamide
CID 33195892
(Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[2-(N-methylanilino)ethyl]prop-2-enamide
CID 55447215
3-propoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 55777397
2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 55980250
(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-prop-2-enylprop-2-enamide
CID 29402051
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]furan-2-carboxamide
CID 55692437
(E)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enamide
CID 7900413
(Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[(4-hydroxyoxan-4-yl)methyl]prop-2-enamide
CID 111486338
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
2-cyano-N-(1-cyclopropylethyl)-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enamide
CID 102603928
1-(4-ethylphenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]thiourea
CID 43076716

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide (CID 55961268) is (Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide is CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1C.
What is the InChIKey of (Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide?
The InChIKey is MFVYZMRQMXRVNJ-XLNRJJMWSA-N. The full InChI is InChI=1S/C24H32N6O3S/c1-4-10-30-19(2)16-21(20(30)3)17-22(18-25)24(31)27-9-15-34(32,33)29-13-11-28(12-14-29)23-7-5-6-8-26-23/h5-8,16-17H,4,9-15H2,1-3H3,(H,27,31)/b22-17-.
What are the key properties of (Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide?
(Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide has a molecular weight of 484.63 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide is sourced from PubChem (CID 55961268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).