N-(4-acetamidophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide

C24H23N3O5S — CID 2116438

IUPACN-(4-acetamidophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C24H23N3O5S/c1-16(28)25-18-7-9-19(10-8-18)26-24(29)21-15-20(11-12-23(21)32-2)33(30,31)27-14-13-17-5-3-4-6-22(17)27/h3-12,15H,13-14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeySGUUEVBLJSCTTI-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.66
Rot. Bonds6

About N-(4-acetamidophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide

N-(4-acetamidophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide (PubChem CID 2116438) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
PubChem CID2116438
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC NameN-(4-acetamidophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C24H23N3O5S/c1-16(28)25-18-7-9-19(10-8-18)26-24(29)21-15-20(11-12-23(21)32-2)33(30,31)27-14-13-17-5-3-4-6-22(17)27/h3-12,15H,13-14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeySGUUEVBLJSCTTI-UHFFFAOYSA-N
XLogP3.66
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide?
The IUPAC name of N-(4-acetamidophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide (CID 2116438) is N-(4-acetamidophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide is COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide?
The InChIKey is SGUUEVBLJSCTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-16(28)25-18-7-9-19(10-8-18)26-24(29)21-15-20(11-12-23(21)32-2)33(30,31)27-14-13-17-5-3-4-6-22(17)27/h3-12,15H,13-14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(4-acetamidophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide?
N-(4-acetamidophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide has a molecular weight of 465.53 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide is sourced from PubChem (CID 2116438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).