N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-phenylacetamide

C20H19N3O3S2 — CID 1458486

IUPACN-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)Cc4ccccc4)n3)ccc21
InChIInChI=1S/C20H19N3O3S2/c1-28(25,26)23-10-9-16-12-15(7-8-18(16)23)17-13-27-20(21-17)22-19(24)11-14-5-3-2-4-6-14/h2-8,12-13H,9-11H2,1H3,(H,21,22,24)
InChIKeyNNDDJXQSHQTIMV-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.31
Rot. Bonds5

About N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-phenylacetamide

N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 1458486) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-phenylacetamide
PubChem CID1458486
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC NameN-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)Cc4ccccc4)n3)ccc21
InChIInChI=1S/C20H19N3O3S2/c1-28(25,26)23-10-9-16-12-15(7-8-18(16)23)17-13-27-20(21-17)22-19(24)11-14-5-3-2-4-6-14/h2-8,12-13H,9-11H2,1H3,(H,21,22,24)
InChIKeyNNDDJXQSHQTIMV-UHFFFAOYSA-N
XLogP3.31
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-phenylacetamide (CID 1458486) is N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-phenylacetamide is CS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)Cc4ccccc4)n3)ccc21.
What is the InChIKey of N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The InChIKey is NNDDJXQSHQTIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c1-28(25,26)23-10-9-16-12-15(7-8-18(16)23)17-13-27-20(21-17)22-19(24)11-14-5-3-2-4-6-14/h2-8,12-13H,9-11H2,1H3,(H,21,22,24).
What are the key properties of N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-phenylacetamide?
N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 413.52 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 1458486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).