2-[[[methyl-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]methyl]furan

C24H45N3O4S — CID 70022041

IUPAC2-[[[methyl-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]methyl]furan
SMILESCCCCCN(C)CCCCCCOC1CCC(N(C)S(=O)(=O)NCc2ccco2)CC1
InChIInChI=1S/C24H45N3O4S/c1-4-5-8-17-26(2)18-9-6-7-10-19-30-23-15-13-22(14-16-23)27(3)32(28,29)25-21-24-12-11-20-31-24/h11-12,20,22-23,25H,4-10,13-19,21H2,1-3H3
InChIKeyAYWLQLKYJOSEHT-UHFFFAOYSA-N
MW471.71 g/mol
LogP4.56
Rot. Bonds17

About 2-[[[methyl-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]methyl]furan

2-[[[methyl-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]methyl]furan (PubChem CID 70022041) has the molecular formula C24H45N3O4S and a molecular weight of 471.71 g/mol. Its IUPAC name is 2-[[[methyl-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]methyl]furan.

Molecular Properties

Compound Name2-[[[methyl-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]methyl]furan
PubChem CID70022041
Molecular FormulaC24H45N3O4S
Molecular Weight471.71 g/mol
Exact Mass471.31
IUPAC Name2-[[[methyl-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]methyl]furan
SMILESCCCCCN(C)CCCCCCOC1CCC(N(C)S(=O)(=O)NCc2ccco2)CC1
InChIInChI=1S/C24H45N3O4S/c1-4-5-8-17-26(2)18-9-6-7-10-19-30-23-15-13-22(14-16-23)27(3)32(28,29)25-21-24-12-11-20-31-24/h11-12,20,22-23,25H,4-10,13-19,21H2,1-3H3
InChIKeyAYWLQLKYJOSEHT-UHFFFAOYSA-N
XLogP4.56
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.71
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[[methyl-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]methyl]furan 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

[[methyl-[4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexyl]sulfamoyl]amino]methylbenzene
CID 69195620
4-bromo-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide
CID 70022526
4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide
CID 70022140
N-methyl-N-[4-[4-[methyl(pentyl)amino]butoxy]cyclohexyl]-4-nitrobenzenesulfonamide
CID 70021656
2-[[methyl-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]ethylbenzene
CID 69199802
N-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine
CID 70021761
N-[[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]methyl]-4-nitrobenzenesulfonamide
CID 70020974
N-[4-[6-(dipentylamino)hexoxy]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 70021096
N-(furan-2-ylmethyl)-2-(4-methylcyclohexyl)oxyethanamine
CID 62566530
(4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate
CID 70021465
4-[6-[methyl(pentyl)amino]hexoxy]piperidine-1-sulfonic acid
CID 70012762
3-(2,4-dimethylphenyl)-1-methyl-1-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]urea
CID 70022878

Frequently Asked Questions

What is the IUPAC name of 2-[[[methyl-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]methyl]furan?
The IUPAC name of 2-[[[methyl-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]methyl]furan (CID 70022041) is 2-[[[methyl-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]methyl]furan.
What is the SMILES notation for 2-[[[methyl-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]methyl]furan?
The canonical SMILES for 2-[[[methyl-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]methyl]furan is CCCCCN(C)CCCCCCOC1CCC(N(C)S(=O)(=O)NCc2ccco2)CC1.
What is the InChIKey of 2-[[[methyl-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]methyl]furan?
The InChIKey is AYWLQLKYJOSEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N3O4S/c1-4-5-8-17-26(2)18-9-6-7-10-19-30-23-15-13-22(14-16-23)27(3)32(28,29)25-21-24-12-11-20-31-24/h11-12,20,22-23,25H,4-10,13-19,21H2,1-3H3.
What are the key properties of 2-[[[methyl-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]methyl]furan?
2-[[[methyl-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]methyl]furan has a molecular weight of 471.71 g/mol, XLogP of 4.56, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[methyl-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]methyl]furan is sourced from PubChem (CID 70022041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).