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

C23H27N3O5S — CID 133159820

IUPACN-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(NC(=O)C4CCCN(S(C)(=O)=O)C4)cc32)cc1
InChIInChI=1S/C23H27N3O5S/c1-31-20-9-6-17(7-10-20)23(28)26-13-11-16-5-8-19(14-21(16)26)24-22(27)18-4-3-12-25(15-18)32(2,29)30/h5-10,14,18H,3-4,11-13,15H2,1-2H3,(H,24,27)
InChIKeyXPCIBGXPKXLOHT-UHFFFAOYSA-N
MW457.55 g/mol
LogP2.51
Rot. Bonds5

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

N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 133159820) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID133159820
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(NC(=O)C4CCCN(S(C)(=O)=O)C4)cc32)cc1
InChIInChI=1S/C23H27N3O5S/c1-31-20-9-6-17(7-10-20)23(28)26-13-11-16-5-8-19(14-21(16)26)24-22(27)18-4-3-12-25(15-18)32(2,29)30/h5-10,14,18H,3-4,11-13,15H2,1-2H3,(H,24,27)
InChIKeyXPCIBGXPKXLOHT-UHFFFAOYSA-N
XLogP2.51
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-3-carboxamide
CID 133159547
1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide
CID 100798688
(3R)-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 100800649
1-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-2,3-dihydroindole-6-carboxamide
CID 53160317
(3S)-N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258369
methyl 4-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 41301922
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]cyclopentanecarboxamide
CID 16825810
(3R)-N-(4-carbamoylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9207182
(3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95119187
methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate
CID 30797828
(3S)-N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 126380777
(3S)-N-(3-bromo-4-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 146337072

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-3-carboxamide (CID 133159820) is N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-3-carboxamide is COc1ccc(C(=O)N2CCc3ccc(NC(=O)C4CCCN(S(C)(=O)=O)C4)cc32)cc1.
What is the InChIKey of N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is XPCIBGXPKXLOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-31-20-9-6-17(7-10-20)23(28)26-13-11-16-5-8-19(14-21(16)26)24-22(27)18-4-3-12-25(15-18)32(2,29)30/h5-10,14,18H,3-4,11-13,15H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 133159820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).