5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(2-pyridin-2-ylethyl)benzamide

C23H23N3O4S — CID 2595507

IUPAC5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(2-pyridin-2-ylethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCCc1ccccn1
InChIInChI=1S/C23H23N3O4S/c1-30-22-10-9-19(31(28,29)26-15-12-17-6-2-3-8-21(17)26)16-20(22)23(27)25-14-11-18-7-4-5-13-24-18/h2-10,13,16H,11-12,14-15H2,1H3,(H,25,27)
InChIKeyVZBQDNPBMPSBCT-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.81
Rot. Bonds7

About 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(2-pyridin-2-ylethyl)benzamide

5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 2595507) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID2595507
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(2-pyridin-2-ylethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCCc1ccccn1
InChIInChI=1S/C23H23N3O4S/c1-30-22-10-9-19(31(28,29)26-15-12-17-6-2-3-8-21(17)26)16-20(22)23(27)25-14-11-18-7-4-5-13-24-18/h2-10,13,16H,11-12,14-15H2,1H3,(H,25,27)
InChIKeyVZBQDNPBMPSBCT-UHFFFAOYSA-N
XLogP2.81
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(2-pyridin-2-ylethyl)benzamide (CID 2595507) is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(2-pyridin-2-ylethyl)benzamide is COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCCc1ccccn1.
What is the InChIKey of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is VZBQDNPBMPSBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-30-22-10-9-19(31(28,29)26-15-12-17-6-2-3-8-21(17)26)16-20(22)23(27)25-14-11-18-7-4-5-13-24-18/h2-10,13,16H,11-12,14-15H2,1H3,(H,25,27).
What are the key properties of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(2-pyridin-2-ylethyl)benzamide?
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 437.52 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 2595507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).