[2-(4-hydroxyanilino)-2-oxoethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate

C16H18N2O6S2 — CID 46648550

IUPAC[2-(4-hydroxyanilino)-2-oxoethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate
SMILESCS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)Nc2ccc(O)cc2)s1
InChIInChI=1S/C16H18N2O6S2/c1-26(22,23)17-9-8-13-6-7-14(25-13)16(21)24-10-15(20)18-11-2-4-12(19)5-3-11/h2-7,17,19H,8-10H2,1H3,(H,18,20)
InChIKeyWHGHXRYAGHGEIU-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.34
Rot. Bonds8

About [2-(4-hydroxyanilino)-2-oxoethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate

[2-(4-hydroxyanilino)-2-oxoethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate (PubChem CID 46648550) has the molecular formula C16H18N2O6S2 and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-(4-hydroxyanilino)-2-oxoethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-hydroxyanilino)-2-oxoethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate
PubChem CID46648550
Molecular FormulaC16H18N2O6S2
Molecular Weight398.46 g/mol
Exact Mass398.06
IUPAC Name[2-(4-hydroxyanilino)-2-oxoethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate
SMILESCS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)Nc2ccc(O)cc2)s1
InChIInChI=1S/C16H18N2O6S2/c1-26(22,23)17-9-8-13-6-7-14(25-13)16(21)24-10-15(20)18-11-2-4-12(19)5-3-11/h2-7,17,19H,8-10H2,1H3,(H,18,20)
InChIKeyWHGHXRYAGHGEIU-UHFFFAOYSA-N
XLogP1.34
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 55448822
[1-(4-bromoanilino)-1-oxopropan-2-yl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate
CID 46646032
5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 27006016
N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27285772
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate
CID 75386503
(2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate
CID 2503022
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 4-methyl-3-nitrobenzoate
CID 27353986
N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 46523672
N-[6-(dimethylamino)-3-pyridinyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 17489969
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 26967786
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 27313704
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] adamantane-2-carboxylate
CID 55449045

Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxyanilino)-2-oxoethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate?
The IUPAC name of [2-(4-hydroxyanilino)-2-oxoethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate (CID 46648550) is [2-(4-hydroxyanilino)-2-oxoethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate.
What is the SMILES notation for [2-(4-hydroxyanilino)-2-oxoethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate?
The canonical SMILES for [2-(4-hydroxyanilino)-2-oxoethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate is CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)Nc2ccc(O)cc2)s1.
What is the InChIKey of [2-(4-hydroxyanilino)-2-oxoethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate?
The InChIKey is WHGHXRYAGHGEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S2/c1-26(22,23)17-9-8-13-6-7-14(25-13)16(21)24-10-15(20)18-11-2-4-12(19)5-3-11/h2-7,17,19H,8-10H2,1H3,(H,18,20).
What are the key properties of [2-(4-hydroxyanilino)-2-oxoethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate?
[2-(4-hydroxyanilino)-2-oxoethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate has a molecular weight of 398.46 g/mol, XLogP of 1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxyanilino)-2-oxoethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate is sourced from PubChem (CID 46648550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).