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

C12H17NO6S2 — CID 60675302

IUPACethyl 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)CCC(=O)OC)cc1C
InChIInChI=1S/C12H17NO6S2/c1-4-19-12(15)11-8(2)7-9(20-11)13-21(16,17)6-5-10(14)18-3/h7,13H,4-6H2,1-3H3
InChIKeySLEGBPAZSVLGRZ-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.54
Rot. Bonds7

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

ethyl 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-carboxylate (PubChem CID 60675302) has the molecular formula C12H17NO6S2 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-carboxylate
PubChem CID60675302
Molecular FormulaC12H17NO6S2
Molecular Weight335.40 g/mol
Exact Mass335.05
IUPAC Nameethyl 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)CCC(=O)OC)cc1C
InChIInChI=1S/C12H17NO6S2/c1-4-19-12(15)11-8(2)7-9(20-11)13-21(16,17)6-5-10(14)18-3/h7,13H,4-6H2,1-3H3
InChIKeySLEGBPAZSVLGRZ-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

ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate
CID 43406404
ethyl 5-(butylsulfonylamino)-3-methylthiophene-2-carboxylate
CID 43406406
ethyl 5-(3-methoxypropylsulfonylamino)-3-methylthiophene-2-carboxylate
CID 63287775
ethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate
CID 114811414
ethyl 2-[(3-methoxy-3-oxopropyl)sulfonylamino]-5-methylthiophene-3-carboxylate
CID 63617191
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
CID 43623989
ethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8515185
5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-carboxylic acid
CID 61459443
ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326
ethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate
CID 41273808
ethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8515211
ethyl 3-methyl-5-(propan-2-ylcarbamothioylamino)thiophene-2-carboxylate
CID 8000608

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-carboxylate (CID 60675302) is ethyl 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NS(=O)(=O)CCC(=O)OC)cc1C.
What is the InChIKey of ethyl 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
The InChIKey is SLEGBPAZSVLGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S2/c1-4-19-12(15)11-8(2)7-9(20-11)13-21(16,17)6-5-10(14)18-3/h7,13H,4-6H2,1-3H3.
What are the key properties of ethyl 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-carboxylate?
ethyl 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-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 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 60675302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).