1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide

C25H37N3O4S — CID 20901006

IUPAC1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide
SMILESCC1CCN(C(=O)C2CCC(CNS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)CC1
InChIInChI=1S/C25H37N3O4S/c1-17-11-13-28(14-12-17)23(29)19-7-5-18(6-8-19)16-26-33(31,32)20-9-10-22-21(15-20)25(2,3)24(30)27(22)4/h9-10,15,17-19,26H,5-8,11-14,16H2,1-4H3
InChIKeyYBOMSMXOEPMQPP-UHFFFAOYSA-N
MW475.66 g/mol
LogP3.28
Rot. Bonds5

About 1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide

1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide (PubChem CID 20901006) has the molecular formula C25H37N3O4S and a molecular weight of 475.66 g/mol. Its IUPAC name is 1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide.

Molecular Properties

Compound Name1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide
PubChem CID20901006
Molecular FormulaC25H37N3O4S
Molecular Weight475.66 g/mol
Exact Mass475.25
IUPAC Name1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide
SMILESCC1CCN(C(=O)C2CCC(CNS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)CC1
InChIInChI=1S/C25H37N3O4S/c1-17-11-13-28(14-12-17)23(29)19-7-5-18(6-8-19)16-26-33(31,32)20-9-10-22-21(15-20)25(2,3)24(30)27(22)4/h9-10,15,17-19,26H,5-8,11-14,16H2,1-4H3
InChIKeyYBOMSMXOEPMQPP-UHFFFAOYSA-N
XLogP3.28
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.66
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide
CID 20901007
N-cyclopentyl-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 20901002
N-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 20901008
N-(1-phenylethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 20901009
1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 20903291
1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one
CID 22519310
N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
CID 3444645
N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 92506331
N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
CID 22582606
N-(2-methoxyethyl)-4-methyl-3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55949058
3,3-dimethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylindol-2-one
CID 50767646
(2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid
CID 92863742

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide?
The IUPAC name of 1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide (CID 20901006) is 1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide.
What is the SMILES notation for 1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide?
The canonical SMILES for 1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide is CC1CCN(C(=O)C2CCC(CNS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)CC1.
What is the InChIKey of 1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide?
The InChIKey is YBOMSMXOEPMQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4S/c1-17-11-13-28(14-12-17)23(29)19-7-5-18(6-8-19)16-26-33(31,32)20-9-10-22-21(15-20)25(2,3)24(30)27(22)4/h9-10,15,17-19,26H,5-8,11-14,16H2,1-4H3.
What are the key properties of 1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide?
1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide has a molecular weight of 475.66 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide is sourced from PubChem (CID 20901006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).