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

C25H37N3O4S — CID 20903291

IUPAC1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCC3CCC(C(=O)N4CCC(C)CC4)CC3)cc2CC1C
InChIInChI=1S/C25H37N3O4S/c1-17-10-12-27(13-11-17)25(30)21-6-4-20(5-7-21)16-26-33(31,32)23-8-9-24-22(15-23)14-18(2)28(24)19(3)29/h8-9,15,17-18,20-21,26H,4-7,10-14,16H2,1-3H3
InChIKeyCCOVKYJOWGTSPM-UHFFFAOYSA-N
MW475.66 g/mol
LogP3.33
Rot. Bonds5

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

1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 20903291) has the molecular formula C25H37N3O4S and a molecular weight of 475.66 g/mol. Its IUPAC name is 1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID20903291
Molecular FormulaC25H37N3O4S
Molecular Weight475.66 g/mol
Exact Mass475.25
IUPAC Name1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCC3CCC(C(=O)N4CCC(C)CC4)CC3)cc2CC1C
InChIInChI=1S/C25H37N3O4S/c1-17-10-12-27(13-11-17)25(30)21-6-4-20(5-7-21)16-26-33(31,32)23-8-9-24-22(15-23)14-18(2)28(24)19(3)29/h8-9,15,17-18,20-21,26H,4-7,10-14,16H2,1-3H3
InChIKeyCCOVKYJOWGTSPM-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 92863752
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862
4-[[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide
CID 20903301
4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide
CID 92688139
1,3,3-trimethyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2-oxoindole-5-sulfonamide
CID 20901006
1-[(2R)-2-methyl-5-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 98470015
4-[[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide
CID 20969982
1-acetyl-2-methyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 119974443
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
(2R)-1-acetyl-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide
CID 92504914
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461
N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide (CID 20903291) is 1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)NCC3CCC(C(=O)N4CCC(C)CC4)CC3)cc2CC1C.
What is the InChIKey of 1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is CCOVKYJOWGTSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4S/c1-17-10-12-27(13-11-17)25(30)21-6-4-20(5-7-21)16-26-33(31,32)23-8-9-24-22(15-23)14-18(2)28(24)19(3)29/h8-9,15,17-18,20-21,26H,4-7,10-14,16H2,1-3H3.
What are the key properties of 1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 475.66 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 20903291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).