1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide

C28H29N3O5S — CID 100798688

IUPAC1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(NC(=O)C4CCN(S(=O)(=O)c5ccccc5)CC4)cc32)cc1
InChIInChI=1S/C28H29N3O5S/c1-36-24-11-8-22(9-12-24)28(33)31-18-15-20-7-10-23(19-26(20)31)29-27(32)21-13-16-30(17-14-21)37(34,35)25-5-3-2-4-6-25/h2-12,19,21H,13-18H2,1H3,(H,29,32)
InChIKeyUAFVIXXSGAPSPO-UHFFFAOYSA-N
MW519.62 g/mol
LogP3.94
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide (PubChem CID 100798688) has the molecular formula C28H29N3O5S and a molecular weight of 519.62 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide
PubChem CID100798688
Molecular FormulaC28H29N3O5S
Molecular Weight519.62 g/mol
Exact Mass519.18
IUPAC Name1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(NC(=O)C4CCN(S(=O)(=O)c5ccccc5)CC4)cc32)cc1
InChIInChI=1S/C28H29N3O5S/c1-36-24-11-8-22(9-12-24)28(33)31-18-15-20-7-10-23(19-26(20)31)29-27(32)21-13-16-30(17-14-21)37(34,35)25-5-3-2-4-6-25/h2-12,19,21H,13-18H2,1H3,(H,29,32)
InChIKeyUAFVIXXSGAPSPO-UHFFFAOYSA-N
XLogP3.94
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.62
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-3-carboxamide
CID 133159547
N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 133159820
N-(9,10-dioxoanthracen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 16831891
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838
N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2672974
N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide
CID 100788776
N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075521
[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 1438179
dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 26695275
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]cyclopentanecarboxamide
CID 16825810
1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450
1-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-2,3-dihydroindole-6-carboxamide
CID 53160317

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide (CID 100798688) is 1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide is COc1ccc(C(=O)N2CCc3ccc(NC(=O)C4CCN(S(=O)(=O)c5ccccc5)CC4)cc32)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide?
The InChIKey is UAFVIXXSGAPSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5S/c1-36-24-11-8-22(9-12-24)28(33)31-18-15-20-7-10-23(19-26(20)31)29-27(32)21-13-16-30(17-14-21)37(34,35)25-5-3-2-4-6-25/h2-12,19,21H,13-18H2,1H3,(H,29,32).
What are the key properties of 1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide has a molecular weight of 519.62 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 100798688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).