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

C18H17N3O3S2 — CID 22581361

IUPAC3-(4-methylphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-13-2-4-15(5-3-13)26(23,24)11-8-17(22)21-18-20-16(12-25-18)14-6-9-19-10-7-14/h2-7,9-10,12H,8,11H2,1H3,(H,20,21,22)
InChIKeyWRMHUDYTULRRKS-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.32
Rot. Bonds6

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

3-(4-methylphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 22581361) 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-4-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
PubChem CID22581361
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name3-(4-methylphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-13-2-4-15(5-3-13)26(23,24)11-8-17(22)21-18-20-16(12-25-18)14-6-9-19-10-7-14/h2-7,9-10,12H,8,11H2,1H3,(H,20,21,22)
InChIKeyWRMHUDYTULRRKS-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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide (CID 22581361) is 3-(4-methylphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccncc3)cs2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is WRMHUDYTULRRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-13-2-4-15(5-3-13)26(23,24)11-8-17(22)21-18-20-16(12-25-18)14-6-9-19-10-7-14/h2-7,9-10,12H,8,11H2,1H3,(H,20,21,22).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
3-(4-methylphenyl)sulfonyl-N-(4-pyridin-4-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-4-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 22581361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).