ethyl 2-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate

C13H22N2O4S2 — CID 114811418

IUPACethyl 2-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H22N2O4S2/c1-6-9-8-10(12(16)19-7-2)11(20-9)14-21(17,18)15-13(3,4)5/h8,14-15H,6-7H2,1-5H3
InChIKeyRXTNYEWORVVAQP-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.53
Rot. Bonds6

About ethyl 2-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate

ethyl 2-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate (PubChem CID 114811418) has the molecular formula C13H22N2O4S2 and a molecular weight of 334.46 g/mol. Its IUPAC name is ethyl 2-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate
PubChem CID114811418
Molecular FormulaC13H22N2O4S2
Molecular Weight334.46 g/mol
Exact Mass334.10
IUPAC Nameethyl 2-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H22N2O4S2/c1-6-9-8-10(12(16)19-7-2)11(20-9)14-21(17,18)15-13(3,4)5/h8,14-15H,6-7H2,1-5H3
InChIKeyRXTNYEWORVVAQP-UHFFFAOYSA-N
XLogP2.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate (CID 114811418) is ethyl 2-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of ethyl 2-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate?
The InChIKey is RXTNYEWORVVAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S2/c1-6-9-8-10(12(16)19-7-2)11(20-9)14-21(17,18)15-13(3,4)5/h8,14-15H,6-7H2,1-5H3.
What are the key properties of ethyl 2-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate?
ethyl 2-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate has a molecular weight of 334.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate is sourced from PubChem (CID 114811418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).