[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(cyclohexylmethylsulfamoyl)carbamate

C24H29ClF3N3O7S — CID 140521763

IUPAC[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(cyclohexylmethylsulfamoyl)carbamate
SMILESCOCCOc1ccc(COC(=O)NS(=O)(=O)NCC2CCCCC2)c(Oc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C24H29ClF3N3O7S/c1-35-9-10-36-19-8-7-17(21(12-19)38-22-20(25)11-18(14-29-22)24(26,27)28)15-37-23(32)31-39(33,34)30-13-16-5-3-2-4-6-16/h7-8,11-12,14,16,30H,2-6,9-10,13,15H2,1H3,(H,31,32)
InChIKeyDOXTXNCMROKJHS-UHFFFAOYSA-N
MW596.02 g/mol
LogP5.21
Rot. Bonds12

About [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(cyclohexylmethylsulfamoyl)carbamate

[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(cyclohexylmethylsulfamoyl)carbamate (PubChem CID 140521763) has the molecular formula C24H29ClF3N3O7S and a molecular weight of 596.02 g/mol. Its IUPAC name is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(cyclohexylmethylsulfamoyl)carbamate.

Molecular Properties

Compound Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(cyclohexylmethylsulfamoyl)carbamate
PubChem CID140521763
Molecular FormulaC24H29ClF3N3O7S
Molecular Weight596.02 g/mol
Exact Mass595.14
IUPAC Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(cyclohexylmethylsulfamoyl)carbamate
SMILESCOCCOc1ccc(COC(=O)NS(=O)(=O)NCC2CCCCC2)c(Oc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C24H29ClF3N3O7S/c1-35-9-10-36-19-8-7-17(21(12-19)38-22-20(25)11-18(14-29-22)24(26,27)28)15-37-23(32)31-39(33,34)30-13-16-5-3-2-4-6-16/h7-8,11-12,14,16,30H,2-6,9-10,13,15H2,1H3,(H,31,32)
InChIKeyDOXTXNCMROKJHS-UHFFFAOYSA-N
XLogP5.21
TPSA125.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.02
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(cyclohexylmethylsulfamoyl)carbamate 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

[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-[(4-methoxyphenyl)methylsulfamoyl]carbamate
CID 140521790
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(propan-2-ylsulfamoyl)carbamate
CID 86617786
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl N-(3-methoxypropyl)carbamate
CID 86617748
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol
CID 68552856
2-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propylsulfonylamino]acetamide
CID 69110718
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enyl N-(2-pyrrolidin-1-ylethylsulfamoyl)carbamate
CID 91583844
[(E)-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enyl] N-(2-pyrrolidin-1-ylethylsulfamoyl)carbamate
CID 86617795
3-ethoxypropylsulfamoyl N-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl]carbamate
CID 91587539
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]-N-(4-methylphenyl)sulfonylpropanamide
CID 68552961
2-chloro-N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl]benzenesulfonamide
CID 68545429
4-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propylsulfonyl]thiomorpholine
CID 69121676
carbamoyl 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]-4-methylpentane-2-sulfonate
CID 87698006

Frequently Asked Questions

What is the IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(cyclohexylmethylsulfamoyl)carbamate?
The IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(cyclohexylmethylsulfamoyl)carbamate (CID 140521763) is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(cyclohexylmethylsulfamoyl)carbamate.
What is the SMILES notation for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(cyclohexylmethylsulfamoyl)carbamate?
The canonical SMILES for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(cyclohexylmethylsulfamoyl)carbamate is COCCOc1ccc(COC(=O)NS(=O)(=O)NCC2CCCCC2)c(Oc2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(cyclohexylmethylsulfamoyl)carbamate?
The InChIKey is DOXTXNCMROKJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClF3N3O7S/c1-35-9-10-36-19-8-7-17(21(12-19)38-22-20(25)11-18(14-29-22)24(26,27)28)15-37-23(32)31-39(33,34)30-13-16-5-3-2-4-6-16/h7-8,11-12,14,16,30H,2-6,9-10,13,15H2,1H3,(H,31,32).
What are the key properties of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(cyclohexylmethylsulfamoyl)carbamate?
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(cyclohexylmethylsulfamoyl)carbamate has a molecular weight of 596.02 g/mol, XLogP of 5.21, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(cyclohexylmethylsulfamoyl)carbamate is sourced from PubChem (CID 140521763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).