3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C24H20N4O3S2 — CID 4782980

IUPAC3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C24H20N4O3S2/c1-16-13-17-7-2-3-11-22(17)28(16)33(30,31)19-9-6-8-18(14-19)23(29)27-24-26-21(15-32-24)20-10-4-5-12-25-20/h2-12,14-16H,13H2,1H3,(H,26,27,29)
InChIKeyCTBCIHOJGMWQRG-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.60
Rot. Bonds5

About 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 4782980) has the molecular formula C24H20N4O3S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID4782980
Molecular FormulaC24H20N4O3S2
Molecular Weight476.58 g/mol
Exact Mass476.10
IUPAC Name3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C24H20N4O3S2/c1-16-13-17-7-2-3-11-22(17)28(16)33(30,31)19-9-6-8-18(14-19)23(29)27-24-26-21(15-32-24)20-10-4-5-12-25-20/h2-12,14-16H,13H2,1H3,(H,26,27,29)
InChIKeyCTBCIHOJGMWQRG-UHFFFAOYSA-N
XLogP4.60
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 4782980) is 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1.
What is the InChIKey of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is CTBCIHOJGMWQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S2/c1-16-13-17-7-2-3-11-22(17)28(16)33(30,31)19-9-6-8-18(14-19)23(29)27-24-26-21(15-32-24)20-10-4-5-12-25-20/h2-12,14-16H,13H2,1H3,(H,26,27,29).
What are the key properties of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 476.58 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4782980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).