4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide

C24H35N3O5S — CID 92688139

IUPAC4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCC3CCC(C(=O)NC[C@@H]4CCCO4)CC3)cc2C[C@@H]1C
InChIInChI=1S/C24H35N3O5S/c1-16-12-20-13-22(9-10-23(20)27(16)17(2)28)33(30,31)26-14-18-5-7-19(8-6-18)24(29)25-15-21-4-3-11-32-21/h9-10,13,16,18-19,21,26H,3-8,11-12,14-15H2,1-2H3,(H,25,29)/t16-,18?,19?,21-/m0/s1
InChIKeyINLKXXLVKJYWGJ-IDVGRALLSA-N
MW477.63 g/mol
LogP2.36
Rot. Bonds7

About 4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide

4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 92688139) has the molecular formula C24H35N3O5S and a molecular weight of 477.63 g/mol. Its IUPAC name is 4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide
PubChem CID92688139
Molecular FormulaC24H35N3O5S
Molecular Weight477.63 g/mol
Exact Mass477.23
IUPAC Name4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCC3CCC(C(=O)NC[C@@H]4CCCO4)CC3)cc2C[C@@H]1C
InChIInChI=1S/C24H35N3O5S/c1-16-12-20-13-22(9-10-23(20)27(16)17(2)28)33(30,31)26-14-18-5-7-19(8-6-18)24(29)25-15-21-4-3-11-32-21/h9-10,13,16,18-19,21,26H,3-8,11-12,14-15H2,1-2H3,(H,25,29)/t16-,18?,19?,21-/m0/s1
InChIKeyINLKXXLVKJYWGJ-IDVGRALLSA-N
XLogP2.36
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide
CID 20903301
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862
1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 20903291
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
1-(cyclopropanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 15996296
N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 43055164
1-acetyl-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 55509064
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 50806732
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461
1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 122174957
1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide (CID 92688139) is 4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide is CC(=O)N1c2ccc(S(=O)(=O)NCC3CCC(C(=O)NC[C@@H]4CCCO4)CC3)cc2C[C@@H]1C.
What is the InChIKey of 4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is INLKXXLVKJYWGJ-IDVGRALLSA-N. The full InChI is InChI=1S/C24H35N3O5S/c1-16-12-20-13-22(9-10-23(20)27(16)17(2)28)33(30,31)26-14-18-5-7-19(8-6-18)24(29)25-15-21-4-3-11-32-21/h9-10,13,16,18-19,21,26H,3-8,11-12,14-15H2,1-2H3,(H,25,29)/t16-,18?,19?,21-/m0/s1.
What are the key properties of 4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide?
4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 477.63 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 92688139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).