3,6,6-trimethyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

C24H31N3O4S — CID 24617769

IUPAC3,6,6-trimethyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)CC2)cc1
InChIInChI=1S/C24H31N3O4S/c1-15-5-7-18(8-6-15)32(30,31)27-11-9-17(10-12-27)25-23(29)22-16(2)21-19(26-22)13-24(3,4)14-20(21)28/h5-8,17,26H,9-14H2,1-4H3,(H,25,29)
InChIKeyBKAMZKYHUAHULF-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.37
Rot. Bonds4

About 3,6,6-trimethyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

3,6,6-trimethyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (PubChem CID 24617769) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 3,6,6-trimethyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,6,6-trimethyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
PubChem CID24617769
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name3,6,6-trimethyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)CC2)cc1
InChIInChI=1S/C24H31N3O4S/c1-15-5-7-18(8-6-15)32(30,31)27-11-9-17(10-12-27)25-23(29)22-16(2)21-19(26-22)13-24(3,4)14-20(21)28/h5-8,17,26H,9-14H2,1-4H3,(H,25,29)
InChIKeyBKAMZKYHUAHULF-UHFFFAOYSA-N
XLogP3.37
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide
CID 24617781
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108562939
2-hydroxy-4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 30095697
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 30095905
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 24617746
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 24609608
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azocane-1-carboxamide
CID 78833850
2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 86970649
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218791

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 3,6,6-trimethyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (CID 24617769) is 3,6,6-trimethyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 3,6,6-trimethyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 3,6,6-trimethyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)CC2)cc1.
What is the InChIKey of 3,6,6-trimethyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The InChIKey is BKAMZKYHUAHULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-15-5-7-18(8-6-15)32(30,31)27-11-9-17(10-12-27)25-23(29)22-16(2)21-19(26-22)13-24(3,4)14-20(21)28/h5-8,17,26H,9-14H2,1-4H3,(H,25,29).
What are the key properties of 3,6,6-trimethyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
3,6,6-trimethyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide has a molecular weight of 457.60 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 24617769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).