ethyl 2-(difluoromethylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate

C10H13F2NO4S2 — CID 43624158

IUPACethyl 2-(difluoromethylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)C(F)F)sc(C)c1C
InChIInChI=1S/C10H13F2NO4S2/c1-4-17-9(14)7-5(2)6(3)18-8(7)13-19(15,16)10(11)12/h10,13H,4H2,1-3H3
InChIKeyFJLYVCUMVOYSBB-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.51
Rot. Bonds5

About ethyl 2-(difluoromethylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate

ethyl 2-(difluoromethylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate (PubChem CID 43624158) has the molecular formula C10H13F2NO4S2 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 2-(difluoromethylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(difluoromethylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate
PubChem CID43624158
Molecular FormulaC10H13F2NO4S2
Molecular Weight313.35 g/mol
Exact Mass313.03
IUPAC Nameethyl 2-(difluoromethylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)C(F)F)sc(C)c1C
InChIInChI=1S/C10H13F2NO4S2/c1-4-17-9(14)7-5(2)6(3)18-8(7)13-19(15,16)10(11)12/h10,13H,4H2,1-3H3
InChIKeyFJLYVCUMVOYSBB-UHFFFAOYSA-N
XLogP2.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4,5-dimethyl-2-(2-methylpropylsulfamoylamino)thiophene-3-carboxylate
CID 114816277
ethyl 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate
CID 1247869
ethyl 2-(3-methoxypropylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 63287811
ethyl 4,5-dimethyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]thiophene-3-carboxylate
CID 2165807
ethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 4583050
ethyl 4,5-dimethyl-2-[(2-propan-2-yloxyacetyl)amino]thiophene-3-carboxylate
CID 47423553
ethyl 4,5-dimethyl-2-(1H-pyrrol-3-ylsulfonylamino)thiophene-3-carboxylate
CID 43624159
ethyl 2-[(2-ethoxy-2-oxoacetyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 3631957
ethyl 4,5-dimethyl-2-[(4-nitrophenyl)sulfonylamino]thiophene-3-carboxylate
CID 2053737
ethyl 2-[(4-ethylsulfonylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 7579443
ethyl 2-[(2,6-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 78771957
ethyl 2-[(3,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 26902176

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluoromethylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(difluoromethylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate (CID 43624158) is ethyl 2-(difluoromethylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(difluoromethylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(difluoromethylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NS(=O)(=O)C(F)F)sc(C)c1C.
What is the InChIKey of ethyl 2-(difluoromethylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is FJLYVCUMVOYSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO4S2/c1-4-17-9(14)7-5(2)6(3)18-8(7)13-19(15,16)10(11)12/h10,13H,4H2,1-3H3.
What are the key properties of ethyl 2-(difluoromethylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-(difluoromethylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(difluoromethylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 43624158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).