3-(4-methylphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

C18H17N3O3S2 — CID 22581360

IUPAC3-(4-methylphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-13-5-7-14(8-6-13)26(23,24)11-9-17(22)21-18-20-16(12-25-18)15-4-2-3-10-19-15/h2-8,10,12H,9,11H2,1H3,(H,20,21,22)
InChIKeyRICIBCVVDIHYFL-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.32
Rot. Bonds6

About 3-(4-methylphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

3-(4-methylphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 22581360) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID22581360
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name3-(4-methylphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-13-5-7-14(8-6-13)26(23,24)11-9-17(22)21-18-20-16(12-25-18)15-4-2-3-10-19-15/h2-8,10,12H,9,11H2,1H3,(H,20,21,22)
InChIKeyRICIBCVVDIHYFL-UHFFFAOYSA-N
XLogP3.32
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-methylphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide 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-(5-(Aminosulfonyl)-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-(4-(2-pyridinyl)phenyl)acetamide
CID 491941
Stf-62247
CID 704473
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzenesulfonamide
CID 3120504
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
N-[5-(5-benzenesulphonamido-6-chloropyridin-3-yl)-4-methylthiazol-2-yl]acetamide
CID 11541283
N-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide
CID 123372490
4-phenyl-N-(3-pyridinyl)-2-thiazolamine
CID 697807
(5-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 972993
(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5829079
N-(4-Methylphenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 704482

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (CID 22581360) is 3-(4-methylphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccccn3)cs2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is RICIBCVVDIHYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-13-5-7-14(8-6-13)26(23,24)11-9-17(22)21-18-20-16(12-25-18)15-4-2-3-10-19-15/h2-8,10,12H,9,11H2,1H3,(H,20,21,22).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
3-(4-methylphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 387.49 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 22581360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).