[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate

C18H19ClN2O6S2 — CID 4847543

IUPAC[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccc(Cl)s1
InChIInChI=1S/C18H19ClN2O6S2/c1-12-2-3-13(29(24,25)21-6-8-26-9-7-21)10-14(12)20-17(22)11-27-18(23)15-4-5-16(19)28-15/h2-5,10H,6-9,11H2,1H3,(H,20,22)
InChIKeyOBGAOAIAUHAOFS-UHFFFAOYSA-N
MW458.95 g/mol
LogP2.53
Rot. Bonds6

About [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate (PubChem CID 4847543) has the molecular formula C18H19ClN2O6S2 and a molecular weight of 458.95 g/mol. Its IUPAC name is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate
PubChem CID4847543
Molecular FormulaC18H19ClN2O6S2
Molecular Weight458.95 g/mol
Exact Mass458.04
IUPAC Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccc(Cl)s1
InChIInChI=1S/C18H19ClN2O6S2/c1-12-2-3-13(29(24,25)21-6-8-26-9-7-21)10-14(12)20-17(22)11-27-18(23)15-4-5-16(19)28-15/h2-5,10H,6-9,11H2,1H3,(H,20,22)
InChIKeyOBGAOAIAUHAOFS-UHFFFAOYSA-N
XLogP2.53
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 3893296
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-chlorobenzoate
CID 4097006
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4208851
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 4275413
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4330205
[2-(4-Chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4968483
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] (Z)-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate
CID 6520257
[2-(2-Chloro-5-methylsulfonylanilino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2531561
[2-Oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] thiophene-2-carboxylate
CID 4574297
[2-(3-Chloroanilino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2553821
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4027033
[2-Oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-methylthiophene-2-carboxylate
CID 4802589

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate (CID 4847543) is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate.
What is the SMILES notation for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The canonical SMILES for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccc(Cl)s1.
What is the InChIKey of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The InChIKey is OBGAOAIAUHAOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O6S2/c1-12-2-3-13(29(24,25)21-6-8-26-9-7-21)10-14(12)20-17(22)11-27-18(23)15-4-5-16(19)28-15/h2-5,10H,6-9,11H2,1H3,(H,20,22).
What are the key properties of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate has a molecular weight of 458.95 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate is sourced from PubChem (CID 4847543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).