ethyl 4-(furan-2-yl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate

C21H22N2O6S2 — CID 55360207

IUPACethyl 4-(furan-2-yl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN(c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C21H22N2O6S2/c1-4-28-21(25)19-15(17-10-7-11-29-17)13-30-20(19)22-18(24)12-23(31(3,26)27)16-9-6-5-8-14(16)2/h5-11,13H,4,12H2,1-3H3,(H,22,24)
InChIKeyKPJATVFVEFTVQZ-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.90
Rot. Bonds8

About ethyl 4-(furan-2-yl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate

ethyl 4-(furan-2-yl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate (PubChem CID 55360207) has the molecular formula C21H22N2O6S2 and a molecular weight of 462.55 g/mol. Its IUPAC name is ethyl 4-(furan-2-yl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(furan-2-yl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate
PubChem CID55360207
Molecular FormulaC21H22N2O6S2
Molecular Weight462.55 g/mol
Exact Mass462.09
IUPAC Nameethyl 4-(furan-2-yl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN(c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C21H22N2O6S2/c1-4-28-21(25)19-15(17-10-7-11-29-17)13-30-20(19)22-18(24)12-23(31(3,26)27)16-9-6-5-8-14(16)2/h5-11,13H,4,12H2,1-3H3,(H,22,24)
InChIKeyKPJATVFVEFTVQZ-UHFFFAOYSA-N
XLogP3.90
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-(furan-2-yl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[[2-[2-cyanoethyl(methyl)amino]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 78822052
ethyl 4-(furan-2-yl)-2-[[2-[(1R,2R)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 7778424
ethyl 4-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
CID 5150893
ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 3430221
[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7477607
ethyl 4-(furan-2-yl)-2-[[2-[3-(methylsulfonylmethyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 27749385
ethyl 4-(furan-2-yl)-2-[[2-[3-(methanesulfonamido)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 16543176
methyl 2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 55645594
ethyl 4-(furan-2-yl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate
CID 55550625
ethyl 4-(furan-2-yl)-2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]thiophene-3-carboxylate
CID 135891163
ethyl 4-(furan-2-yl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
CID 7499713
ethyl 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 2488755

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(furan-2-yl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-(furan-2-yl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate (CID 55360207) is ethyl 4-(furan-2-yl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(furan-2-yl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(furan-2-yl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN(c1ccccc1C)S(C)(=O)=O.
What is the InChIKey of ethyl 4-(furan-2-yl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is KPJATVFVEFTVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6S2/c1-4-28-21(25)19-15(17-10-7-11-29-17)13-30-20(19)22-18(24)12-23(31(3,26)27)16-9-6-5-8-14(16)2/h5-11,13H,4,12H2,1-3H3,(H,22,24).
What are the key properties of ethyl 4-(furan-2-yl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate?
ethyl 4-(furan-2-yl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 462.55 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(furan-2-yl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 55360207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).