2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C20H17N3O3S2 — CID 16935690

IUPAC2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3nccs3)c3ccccc23)cc1
InChIInChI=1S/C20H17N3O3S2/c1-14-6-8-15(9-7-14)28(25,26)18-12-23(17-5-3-2-4-16(17)18)13-19(24)22-20-21-10-11-27-20/h2-12H,13H2,1H3,(H,21,22,24)
InChIKeyBMLOCGOVDFZONK-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.88
Rot. Bonds5

About 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 16935690) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID16935690
Molecular FormulaC20H17N3O3S2
Molecular Weight411.51 g/mol
Exact Mass411.07
IUPAC Name2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3nccs3)c3ccccc23)cc1
InChIInChI=1S/C20H17N3O3S2/c1-14-6-8-15(9-7-14)28(25,26)18-12-23(17-5-3-2-4-16(17)18)13-19(24)22-20-21-10-11-27-20/h2-12H,13H2,1H3,(H,21,22,24)
InChIKeyBMLOCGOVDFZONK-UHFFFAOYSA-N
XLogP3.88
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 16935690) is 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3nccs3)c3ccccc23)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is BMLOCGOVDFZONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c1-14-6-8-15(9-7-14)28(25,26)18-12-23(17-5-3-2-4-16(17)18)13-19(24)22-20-21-10-11-27-20/h2-12H,13H2,1H3,(H,21,22,24).
What are the key properties of 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 411.51 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 16935690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).