4-[[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide

C25H37N3O5S — CID 20969982

IUPAC4-[[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide
SMILESCOCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)C2CC2)CC1
InChIInChI=1S/C25H37N3O5S/c1-17-14-21-15-22(10-11-23(21)28(17)25(30)20-8-9-20)34(31,32)27-16-18-4-6-19(7-5-18)24(29)26-12-3-13-33-2/h10-11,15,17-20,27H,3-9,12-14,16H2,1-2H3,(H,26,29)
InChIKeyCSQHCYMILFVHNL-UHFFFAOYSA-N
MW491.65 g/mol
LogP2.61
Rot. Bonds10

About 4-[[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide

4-[[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide (PubChem CID 20969982) has the molecular formula C25H37N3O5S and a molecular weight of 491.65 g/mol. Its IUPAC name is 4-[[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide
PubChem CID20969982
Molecular FormulaC25H37N3O5S
Molecular Weight491.65 g/mol
Exact Mass491.25
IUPAC Name4-[[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide
SMILESCOCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)C2CC2)CC1
InChIInChI=1S/C25H37N3O5S/c1-17-14-21-15-22(10-11-23(21)28(17)25(30)20-8-9-20)34(31,32)27-16-18-4-6-19(7-5-18)24(29)26-12-3-13-33-2/h10-11,15,17-20,27H,3-9,12-14,16H2,1-2H3,(H,26,29)
InChIKeyCSQHCYMILFVHNL-UHFFFAOYSA-N
XLogP2.61
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.65
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-(3-methoxypropyl)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

1-(cyclopropanecarbonyl)-2-methyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-5-sulfonamide
CID 20901692
4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 92863752
1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 20903291
4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide
CID 92688139
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
N-cycloheptyl-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92687952
3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methylphenyl)propanamide
CID 92688036
3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 92688041
N-(1,3-benzodioxol-5-ylmethyl)-3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46274896
3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 92687932
1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 20911656

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide (CID 20969982) is 4-[[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide is COCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)C2CC2)CC1.
What is the InChIKey of 4-[[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide?
The InChIKey is CSQHCYMILFVHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O5S/c1-17-14-21-15-22(10-11-23(21)28(17)25(30)20-8-9-20)34(31,32)27-16-18-4-6-19(7-5-18)24(29)26-12-3-13-33-2/h10-11,15,17-20,27H,3-9,12-14,16H2,1-2H3,(H,26,29).
What are the key properties of 4-[[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide?
4-[[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide has a molecular weight of 491.65 g/mol, XLogP of 2.61, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 20969982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).