ethyl 4-[2-[4-(cyclopentylsulfamoyl)phenyl]ethylamino]pyrimidine-5-carboxylate

C20H26N4O4S — CID 108775073

IUPACethyl 4-[2-[4-(cyclopentylsulfamoyl)phenyl]ethylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cncnc1NCCc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C20H26N4O4S/c1-2-28-20(25)18-13-21-14-23-19(18)22-12-11-15-7-9-17(10-8-15)29(26,27)24-16-5-3-4-6-16/h7-10,13-14,16,24H,2-6,11-12H2,1H3,(H,21,22,23)
InChIKeyRLUHDUIFJLYNJJ-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.53
Rot. Bonds9

About ethyl 4-[2-[4-(cyclopentylsulfamoyl)phenyl]ethylamino]pyrimidine-5-carboxylate

ethyl 4-[2-[4-(cyclopentylsulfamoyl)phenyl]ethylamino]pyrimidine-5-carboxylate (PubChem CID 108775073) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is ethyl 4-[2-[4-(cyclopentylsulfamoyl)phenyl]ethylamino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[4-(cyclopentylsulfamoyl)phenyl]ethylamino]pyrimidine-5-carboxylate
PubChem CID108775073
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Nameethyl 4-[2-[4-(cyclopentylsulfamoyl)phenyl]ethylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cncnc1NCCc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C20H26N4O4S/c1-2-28-20(25)18-13-21-14-23-19(18)22-12-11-15-7-9-17(10-8-15)29(26,27)24-16-5-3-4-6-16/h7-10,13-14,16,24H,2-6,11-12H2,1H3,(H,21,22,23)
InChIKeyRLUHDUIFJLYNJJ-UHFFFAOYSA-N
XLogP2.53
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide
CID 108759314
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 30126245
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 45374111
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide
CID 108736298
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide
CID 108759391
N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786
N-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide
CID 110355911
ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate
CID 114545305
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-methyl-3-nitrobenzamide
CID 108736405

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[4-(cyclopentylsulfamoyl)phenyl]ethylamino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[2-[4-(cyclopentylsulfamoyl)phenyl]ethylamino]pyrimidine-5-carboxylate (CID 108775073) is ethyl 4-[2-[4-(cyclopentylsulfamoyl)phenyl]ethylamino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-[4-(cyclopentylsulfamoyl)phenyl]ethylamino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[2-[4-(cyclopentylsulfamoyl)phenyl]ethylamino]pyrimidine-5-carboxylate is CCOC(=O)c1cncnc1NCCc1ccc(S(=O)(=O)NC2CCCC2)cc1.
What is the InChIKey of ethyl 4-[2-[4-(cyclopentylsulfamoyl)phenyl]ethylamino]pyrimidine-5-carboxylate?
The InChIKey is RLUHDUIFJLYNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-2-28-20(25)18-13-21-14-23-19(18)22-12-11-15-7-9-17(10-8-15)29(26,27)24-16-5-3-4-6-16/h7-10,13-14,16,24H,2-6,11-12H2,1H3,(H,21,22,23).
What are the key properties of ethyl 4-[2-[4-(cyclopentylsulfamoyl)phenyl]ethylamino]pyrimidine-5-carboxylate?
ethyl 4-[2-[4-(cyclopentylsulfamoyl)phenyl]ethylamino]pyrimidine-5-carboxylate has a molecular weight of 418.52 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[4-(cyclopentylsulfamoyl)phenyl]ethylamino]pyrimidine-5-carboxylate is sourced from PubChem (CID 108775073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).