ethyl 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate

C15H16FNO4S2 — CID 1247869

IUPACethyl 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)c2ccc(F)cc2)sc(C)c1C
InChIInChI=1S/C15H16FNO4S2/c1-4-21-15(18)13-9(2)10(3)22-14(13)17-23(19,20)12-7-5-11(16)6-8-12/h5-8,17H,4H2,1-3H3
InChIKeyIKQICISTMLPQLO-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.48
Rot. Bonds5

About ethyl 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate

ethyl 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 1247869) has the molecular formula C15H16FNO4S2 and a molecular weight of 357.43 g/mol. Its IUPAC name is ethyl 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID1247869
Molecular FormulaC15H16FNO4S2
Molecular Weight357.43 g/mol
Exact Mass357.05
IUPAC Nameethyl 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)c2ccc(F)cc2)sc(C)c1C
InChIInChI=1S/C15H16FNO4S2/c1-4-21-15(18)13-9(2)10(3)22-14(13)17-23(19,20)12-7-5-11(16)6-8-12/h5-8,17H,4H2,1-3H3
InChIKeyIKQICISTMLPQLO-UHFFFAOYSA-N
XLogP3.48
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4,5-dimethyl-2-[(4-nitrophenyl)sulfonylamino]thiophene-3-carboxylate
CID 2053737
ethyl 4,5-dimethyl-2-(1H-pyrrol-3-ylsulfonylamino)thiophene-3-carboxylate
CID 43624159
ethyl 2-(difluoromethylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 43624158
ethyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 16861586
ethyl 2-[(4-fluorophenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
CID 8728440
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7546117
ethyl N-[2-[[3-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate
CID 121042221
ethyl 2-[(4-ethylsulfonylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 7579443
methyl 4-ethyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylate
CID 71654905
4-O-ethyl 2-O-propan-2-yl 5-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 110502584
ethyl N-(4-fluorophenyl)sulfonylcarbamate
CID 19693765

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate (CID 1247869) is ethyl 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NS(=O)(=O)c2ccc(F)cc2)sc(C)c1C.
What is the InChIKey of ethyl 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is IKQICISTMLPQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4S2/c1-4-21-15(18)13-9(2)10(3)22-14(13)17-23(19,20)12-7-5-11(16)6-8-12/h5-8,17H,4H2,1-3H3.
What are the key properties of ethyl 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 357.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 1247869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).