N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide

C20H17N3O3S — CID 123684252

IUPACN-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCc1ccncc1S(=O)(=O)c1ccc(NC(=O)C=Cc2cccnc2)cc1
InChIInChI=1S/C20H17N3O3S/c1-15-10-12-22-14-19(15)27(25,26)18-7-5-17(6-8-18)23-20(24)9-4-16-3-2-11-21-13-16/h2-14H,1H3,(H,23,24)
InChIKeyRFXLTMZJSCZWEJ-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.27
Rot. Bonds5

About N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide

N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 123684252) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID123684252
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCc1ccncc1S(=O)(=O)c1ccc(NC(=O)C=Cc2cccnc2)cc1
InChIInChI=1S/C20H17N3O3S/c1-15-10-12-22-14-19(15)27(25,26)18-7-5-17(6-8-18)23-20(24)9-4-16-3-2-11-21-13-16/h2-14H,1H3,(H,23,24)
InChIKeyRFXLTMZJSCZWEJ-UHFFFAOYSA-N
XLogP3.27
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.27
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-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-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

N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70978968
(E)-N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70978966
(E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 90407764
3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 171152896
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
2-methyl-5-(3-pyridin-3-ylprop-2-enoylamino)benzoic acid
CID 77003813
N-cyclopentyl-3-[4-(3-pyridin-3-ylprop-2-enoylamino)phenyl]sulfonylbenzamide
CID 70978965
(E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 51092375
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 74659842
(Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 67494098
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 76858101
(E)-N-[4-(cyanomethyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 38072631

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide (CID 123684252) is N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide is Cc1ccncc1S(=O)(=O)c1ccc(NC(=O)C=Cc2cccnc2)cc1.
What is the InChIKey of N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is RFXLTMZJSCZWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-15-10-12-22-14-19(15)27(25,26)18-7-5-17(6-8-18)23-20(24)9-4-16-3-2-11-21-13-16/h2-14H,1H3,(H,23,24).
What are the key properties of N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide?
N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 379.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 123684252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).