1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide

C24H29N3O5S — CID 20901953

IUPAC1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc4c(c3)CC(C)N4C(C)=O)C2)cc1
InChIInChI=1S/C24H29N3O5S/c1-16-13-19-14-22(10-11-23(19)27(16)17(2)28)33(30,31)26-12-4-5-18(15-26)24(29)25-20-6-8-21(32-3)9-7-20/h6-11,14,16,18H,4-5,12-13,15H2,1-3H3,(H,25,29)
InChIKeyBUNRVHAQNNROOF-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.03
Rot. Bonds5

About 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide

1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 20901953) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
PubChem CID20901953
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc4c(c3)CC(C)N4C(C)=O)C2)cc1
InChIInChI=1S/C24H29N3O5S/c1-16-13-19-14-22(10-11-23(19)27(16)17(2)28)33(30,31)26-12-4-5-18(15-26)24(29)25-20-6-8-21(32-3)9-7-20/h6-11,14,16,18H,4-5,12-13,15H2,1-3H3,(H,25,29)
InChIKeyBUNRVHAQNNROOF-UHFFFAOYSA-N
XLogP3.03
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide (CID 20901953) is 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc4c(c3)CC(C)N4C(C)=O)C2)cc1.
What is the InChIKey of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is BUNRVHAQNNROOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-16-13-19-14-22(10-11-23(19)27(16)17(2)28)33(30,31)26-12-4-5-18(15-26)24(29)25-20-6-8-21(32-3)9-7-20/h6-11,14,16,18H,4-5,12-13,15H2,1-3H3,(H,25,29).
What are the key properties of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide?
1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 20901953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).