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

C23H18N4O3S2 — CID 4159447

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C23H18N4O3S2/c28-22(26-23-25-20(15-31-23)19-6-3-4-13-24-19)17-8-10-18(11-9-17)32(29,30)27-14-12-16-5-1-2-7-21(16)27/h1-11,13,15H,12,14H2,(H,25,26,28)
InChIKeyZUBCUNQBCABCOE-UHFFFAOYSA-N
MW462.56 g/mol
LogP4.21
Rot. Bonds5

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

4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 4159447) has the molecular formula C23H18N4O3S2 and a molecular weight of 462.56 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID4159447
Molecular FormulaC23H18N4O3S2
Molecular Weight462.56 g/mol
Exact Mass462.08
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C23H18N4O3S2/c28-22(26-23-25-20(15-31-23)19-6-3-4-13-24-19)17-8-10-18(11-9-17)32(29,30)27-14-12-16-5-1-2-7-21(16)27/h1-11,13,15H,12,14H2,(H,25,26,28)
InChIKeyZUBCUNQBCABCOE-UHFFFAOYSA-N
XLogP4.21
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 4159447) is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZUBCUNQBCABCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S2/c28-22(26-23-25-20(15-31-23)19-6-3-4-13-24-19)17-8-10-18(11-9-17)32(29,30)27-14-12-16-5-1-2-7-21(16)27/h1-11,13,15H,12,14H2,(H,25,26,28).
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 462.56 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4159447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).