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

C24H19N3O3S2 — CID 5175512

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C24H19N3O3S2/c28-23(26-24-25-21(16-31-24)17-6-2-1-3-7-17)19-10-12-20(13-11-19)32(29,30)27-15-14-18-8-4-5-9-22(18)27/h1-13,16H,14-15H2,(H,25,26,28)
InChIKeySCTLBSYNIAUGSA-UHFFFAOYSA-N
MW461.57 g/mol
LogP4.81
Rot. Bonds5

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

4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 5175512) has the molecular formula C24H19N3O3S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID5175512
Molecular FormulaC24H19N3O3S2
Molecular Weight461.57 g/mol
Exact Mass461.09
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C24H19N3O3S2/c28-23(26-24-25-21(16-31-24)17-6-2-1-3-7-17)19-10-12-20(13-11-19)32(29,30)27-15-14-18-8-4-5-9-22(18)27/h1-13,16H,14-15H2,(H,25,26,28)
InChIKeySCTLBSYNIAUGSA-UHFFFAOYSA-N
XLogP4.81
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 5175512) is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is SCTLBSYNIAUGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S2/c28-23(26-24-25-21(16-31-24)17-6-2-1-3-7-17)19-10-12-20(13-11-19)32(29,30)27-15-14-18-8-4-5-9-22(18)27/h1-13,16H,14-15H2,(H,25,26,28).
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 461.57 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 5175512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).