N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide

C19H22N4O3S — CID 56953863

IUPACN-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C)n3)CC2)cc1
InChIInChI=1S/C19H22N4O3S/c1-3-19(24)21-16-7-9-17(10-8-16)27(25,26)23-13-11-22(12-14-23)18-6-4-5-15(2)20-18/h3-10H,1,11-14H2,2H3,(H,21,24)
InChIKeyKFEJNIOLFTZKGK-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.03
Rot. Bonds5

About N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide

N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide (PubChem CID 56953863) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
PubChem CID56953863
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C)n3)CC2)cc1
InChIInChI=1S/C19H22N4O3S/c1-3-19(24)21-16-7-9-17(10-8-16)27(25,26)23-13-11-22(12-14-23)18-6-4-5-15(2)20-18/h3-10H,1,11-14H2,2H3,(H,21,24)
InChIKeyKFEJNIOLFTZKGK-UHFFFAOYSA-N
XLogP2.03
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]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

N4-Acetylsulfamethazine
CID 66855
Acetylsulfapyridine
CID 58638
N-[4-({4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}sulfonyl)phenyl]acetamide
CID 2740568
N-[4-(4,6-Dimethyl-pyrimidin-2-ylsulfamoyl)-phenyl]-isobutyramide
CID 728482
N-{4-[({3-[(4-aminophenyl)amino]-2-quinoxalinyl}amino)sulfonyl]phenyl}acetamide
CID 2314355
4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 122187640
N-{4-[(2-pyridylamino)sulfonyl]phenyl}propanamide
CID 725106
2-(4-pyridin-2-ylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 20970546
N-phenyl-2-[(phenylsulfonyl)(2-pyridinyl)amino]acetamide
CID 1475365
N-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
CID 56953735
N-[4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 56953736
N-[4-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 56953864

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The IUPAC name of N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide (CID 56953863) is N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The canonical SMILES for N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide is C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C)n3)CC2)cc1.
What is the InChIKey of N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The InChIKey is KFEJNIOLFTZKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-3-19(24)21-16-7-9-17(10-8-16)27(25,26)23-13-11-22(12-14-23)18-6-4-5-15(2)20-18/h3-10H,1,11-14H2,2H3,(H,21,24).
What are the key properties of N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide has a molecular weight of 386.48 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide is sourced from PubChem (CID 56953863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).