ethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate

C10H16N2O4S2 — CID 114811414

IUPACethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate
SMILESCCNS(=O)(=O)Nc1cc(C)c(C(=O)OCC)s1
InChIInChI=1S/C10H16N2O4S2/c1-4-11-18(14,15)12-8-6-7(3)9(17-8)10(13)16-5-2/h6,11-12H,4-5H2,1-3H3
InChIKeyAEJGIILMTMOCOG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.50
Rot. Bonds6

About ethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate

ethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate (PubChem CID 114811414) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate
PubChem CID114811414
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Nameethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate
SMILESCCNS(=O)(=O)Nc1cc(C)c(C(=O)OCC)s1
InChIInChI=1S/C10H16N2O4S2/c1-4-11-18(14,15)12-8-6-7(3)9(17-8)10(13)16-5-2/h6,11-12H,4-5H2,1-3H3
InChIKeyAEJGIILMTMOCOG-UHFFFAOYSA-N
XLogP1.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8515185
ethyl 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 60675302
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
CID 43623989
ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326
ethyl 3-methyl-5-(3,3,3-trifluoropropanoylamino)thiophene-2-carboxylate
CID 43423510
ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate
CID 43422858
5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid
CID 114814326
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-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate (CID 114811414) is ethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate is CCNS(=O)(=O)Nc1cc(C)c(C(=O)OCC)s1.
What is the InChIKey of ethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate?
The InChIKey is AEJGIILMTMOCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-4-11-18(14,15)12-8-6-7(3)9(17-8)10(13)16-5-2/h6,11-12H,4-5H2,1-3H3.
What are the key properties of ethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate?
ethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 114811414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).