ethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate

C17H20N2O6S2 — CID 8515211

IUPACethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)c2ccc(NC(C)=O)c(OC)c2)cc1C
InChIInChI=1S/C17H20N2O6S2/c1-5-25-17(21)16-10(2)8-15(26-16)19-27(22,23)12-6-7-13(18-11(3)20)14(9-12)24-4/h6-9,19H,5H2,1-4H3,(H,18,20)
InChIKeyCZSYAENKHREZGF-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.00
Rot. Bonds7

About ethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate

ethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate (PubChem CID 8515211) has the molecular formula C17H20N2O6S2 and a molecular weight of 412.49 g/mol. Its IUPAC name is ethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
PubChem CID8515211
Molecular FormulaC17H20N2O6S2
Molecular Weight412.49 g/mol
Exact Mass412.08
IUPAC Nameethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)c2ccc(NC(C)=O)c(OC)c2)cc1C
InChIInChI=1S/C17H20N2O6S2/c1-5-25-17(21)16-10(2)8-15(26-16)19-27(22,23)12-6-7-13(18-11(3)20)14(9-12)24-4/h6-9,19H,5H2,1-4H3,(H,18,20)
InChIKeyCZSYAENKHREZGF-UHFFFAOYSA-N
XLogP3.00
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8842336
methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8842360
ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate
CID 43406404
ethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8515185
3-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-4-methylbenzoic acid
CID 2441956
ethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate
CID 26969690
ethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate
CID 41273808
ethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate
CID 114811414
ethyl 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 60675302
N-[4-[(2-acetylphenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 8603481
(2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 8802619
methyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate
CID 18532455

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate (CID 8515211) is ethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NS(=O)(=O)c2ccc(NC(C)=O)c(OC)c2)cc1C.
What is the InChIKey of ethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
The InChIKey is CZSYAENKHREZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S2/c1-5-25-17(21)16-10(2)8-15(26-16)19-27(22,23)12-6-7-13(18-11(3)20)14(9-12)24-4/h6-9,19H,5H2,1-4H3,(H,18,20).
What are the key properties of ethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
ethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate has a molecular weight of 412.49 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 8515211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).