[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate

C17H18N2O6S2 — CID 4275413

IUPAC[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18N2O6S2/c20-16(12-25-17(21)15-5-2-10-26-15)18-13-3-1-4-14(11-13)27(22,23)19-6-8-24-9-7-19/h1-5,10-11H,6-9,12H2,(H,18,20)
InChIKeyNMRKAHCPMQZBPR-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.56
Rot. Bonds6

About [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 4275413) has the molecular formula C17H18N2O6S2 and a molecular weight of 410.47 g/mol. Its IUPAC name is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID4275413
Molecular FormulaC17H18N2O6S2
Molecular Weight410.47 g/mol
Exact Mass410.06
IUPAC Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18N2O6S2/c20-16(12-25-17(21)15-5-2-10-26-15)18-13-3-1-4-14(11-13)27(22,23)19-6-8-24-9-7-19/h1-5,10-11H,6-9,12H2,(H,18,20)
InChIKeyNMRKAHCPMQZBPR-UHFFFAOYSA-N
XLogP1.56
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-Oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 16287066
2-[[4-(Acetylamino)phenyl]amino]-2-oxoethyl 5-methyl-2-thiophenecarboxylate
CID 2378830
[2-oxo-2-(4-sulfamoylanilino)ethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 2385410
[2-[4-[Ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] thiophene-2-carboxylate
CID 2413185
Methyl 3-[(4-piperidinoanilino)sulfonyl]-2-thiophenecarboxylate
CID 2814750
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 3658108
[2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 3893296
[2-[3-(Dimethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4091312
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4208851
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4330205
[2-(2-Methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 4411955
[2-Oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 4830718

Frequently Asked Questions

What is the IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate (CID 4275413) is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is NMRKAHCPMQZBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S2/c20-16(12-25-17(21)15-5-2-10-26-15)18-13-3-1-4-14(11-13)27(22,23)19-6-8-24-9-7-19/h1-5,10-11H,6-9,12H2,(H,18,20).
What are the key properties of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 410.47 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 4275413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).