3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

C18H17N3O3S2 — CID 2453776

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESO=C(NC1=NCCS1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H17N3O3S2/c22-17(20-18-19-9-11-25-18)14-5-3-6-15(12-14)26(23,24)21-10-8-13-4-1-2-7-16(13)21/h1-7,12H,8-11H2,(H,19,20,22)
InChIKeyFGYPVIOOUJYRHW-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.27
Rot. Bonds3

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (PubChem CID 2453776) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
PubChem CID2453776
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESO=C(NC1=NCCS1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H17N3O3S2/c22-17(20-18-19-9-11-25-18)14-5-3-6-15(12-14)26(23,24)21-10-8-13-4-1-2-7-16(13)21/h1-7,12H,8-11H2,(H,19,20,22)
InChIKeyFGYPVIOOUJYRHW-UHFFFAOYSA-N
XLogP2.27
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (CID 2453776) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is O=C(NC1=NCCS1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The InChIKey is FGYPVIOOUJYRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c22-17(20-18-19-9-11-25-18)14-5-3-6-15(12-14)26(23,24)21-10-8-13-4-1-2-7-16(13)21/h1-7,12H,8-11H2,(H,19,20,22).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide has a molecular weight of 387.49 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2453776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).