ethyl 2-[(3-methoxy-3-oxopropyl)sulfonylamino]-5-methylthiophene-3-carboxylate

C12H17NO6S2 — CID 63617191

IUPACethyl 2-[(3-methoxy-3-oxopropyl)sulfonylamino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NS(=O)(=O)CCC(=O)OC
InChIInChI=1S/C12H17NO6S2/c1-4-19-12(15)9-7-8(2)20-11(9)13-21(16,17)6-5-10(14)18-3/h7,13H,4-6H2,1-3H3
InChIKeyRVCAWSUKGKXLFJ-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.54
Rot. Bonds7

About ethyl 2-[(3-methoxy-3-oxopropyl)sulfonylamino]-5-methylthiophene-3-carboxylate

ethyl 2-[(3-methoxy-3-oxopropyl)sulfonylamino]-5-methylthiophene-3-carboxylate (PubChem CID 63617191) has the molecular formula C12H17NO6S2 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl 2-[(3-methoxy-3-oxopropyl)sulfonylamino]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-methoxy-3-oxopropyl)sulfonylamino]-5-methylthiophene-3-carboxylate
PubChem CID63617191
Molecular FormulaC12H17NO6S2
Molecular Weight335.40 g/mol
Exact Mass335.05
IUPAC Nameethyl 2-[(3-methoxy-3-oxopropyl)sulfonylamino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NS(=O)(=O)CCC(=O)OC
InChIInChI=1S/C12H17NO6S2/c1-4-19-12(15)9-7-8(2)20-11(9)13-21(16,17)6-5-10(14)18-3/h7,13H,4-6H2,1-3H3
InChIKeyRVCAWSUKGKXLFJ-UHFFFAOYSA-N
XLogP1.54
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)sulfamoyl]butanoic acid
CID 63618726
ethyl 5-methyl-2-(2-propan-2-yloxyethylsulfonylamino)thiophene-3-carboxylate
CID 79592877
ethyl 2-[(3-chloro-2-methylpropyl)sulfonylamino]-5-methylthiophene-3-carboxylate
CID 79585352
ethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate
CID 114465520
ethyl 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 60675302
ethyl 2-(3-chloropropylsulfonylamino)-5-ethylthiophene-3-carboxylate
CID 43654266
ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
ethyl 2-[(3-bromothiophen-2-yl)sulfonylamino]-5-methylthiophene-3-carboxylate
CID 63617527
4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid
CID 831651
6-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-6-oxohexanoic acid
CID 63618723
ethyl 2-[(2,4-diamino-4-oxobutanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63616688
ethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate
CID 104710371

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methoxy-3-oxopropyl)sulfonylamino]-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(3-methoxy-3-oxopropyl)sulfonylamino]-5-methylthiophene-3-carboxylate (CID 63617191) is ethyl 2-[(3-methoxy-3-oxopropyl)sulfonylamino]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(3-methoxy-3-oxopropyl)sulfonylamino]-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(3-methoxy-3-oxopropyl)sulfonylamino]-5-methylthiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NS(=O)(=O)CCC(=O)OC.
What is the InChIKey of ethyl 2-[(3-methoxy-3-oxopropyl)sulfonylamino]-5-methylthiophene-3-carboxylate?
The InChIKey is RVCAWSUKGKXLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S2/c1-4-19-12(15)9-7-8(2)20-11(9)13-21(16,17)6-5-10(14)18-3/h7,13H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[(3-methoxy-3-oxopropyl)sulfonylamino]-5-methylthiophene-3-carboxylate?
ethyl 2-[(3-methoxy-3-oxopropyl)sulfonylamino]-5-methylthiophene-3-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methoxy-3-oxopropyl)sulfonylamino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 63617191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).