[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-cyclopentylacetate

C18H26N2O6S — CID 3449212

IUPAC[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-cyclopentylacetate
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CC1CCCC1
InChIInChI=1S/C18H26N2O6S/c1-20(2)27(23,24)14-8-9-16(25-3)15(11-14)19-17(21)12-26-18(22)10-13-6-4-5-7-13/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,19,21)
InChIKeyCHLZQXCFVLNAKZ-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.01
Rot. Bonds8

About [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-cyclopentylacetate

[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 3449212) has the molecular formula C18H26N2O6S and a molecular weight of 398.48 g/mol. Its IUPAC name is [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-cyclopentylacetate
PubChem CID3449212
Molecular FormulaC18H26N2O6S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC Name[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-cyclopentylacetate
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CC1CCCC1
InChIInChI=1S/C18H26N2O6S/c1-20(2)27(23,24)14-8-9-16(25-3)15(11-14)19-17(21)12-26-18(22)10-13-6-4-5-7-13/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,19,21)
InChIKeyCHLZQXCFVLNAKZ-UHFFFAOYSA-N
XLogP2.01
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
[2-[5-(Dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] cyclopropanecarboxylate
CID 3975162
[2-(2-Methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4193432
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide
CID 4800134
(2-Amino-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2110224
[2-(2-Ethoxyanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2338807
[2-[2-(Difluoromethoxy)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 2399399
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2535541
[2-(2-Methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethylbutanoate
CID 3390903
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3555690
[2-[3-(Dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 3957954

Frequently Asked Questions

What is the IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-cyclopentylacetate (CID 3449212) is [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-cyclopentylacetate is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CC1CCCC1.
What is the InChIKey of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is CHLZQXCFVLNAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6S/c1-20(2)27(23,24)14-8-9-16(25-3)15(11-14)19-17(21)12-26-18(22)10-13-6-4-5-7-13/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,19,21).
What are the key properties of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-cyclopentylacetate?
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 398.48 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-cyclopentylacetate is sourced from PubChem (CID 3449212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).