ethyl 5-propan-2-yl-2-[[2-[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyloxy]acetyl]amino]thiophene-3-carboxylate

C25H34N2O7S2 — CID 5027538

IUPACethyl 5-propan-2-yl-2-[[2-[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyloxy]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)C)sc1NC(=O)COC(=O)C(C)NS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C25H34N2O7S2/c1-9-33-25(30)19-11-20(13(2)3)35-23(19)26-21(28)12-34-24(29)18(8)27-36(31,32)22-16(6)14(4)10-15(5)17(22)7/h10-11,13,18,27H,9,12H2,1-8H3,(H,26,28)
InChIKeyGFRNWLLPDGFNGO-UHFFFAOYSA-N
MW538.69 g/mol
LogP4.13
Rot. Bonds10

About ethyl 5-propan-2-yl-2-[[2-[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyloxy]acetyl]amino]thiophene-3-carboxylate

ethyl 5-propan-2-yl-2-[[2-[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyloxy]acetyl]amino]thiophene-3-carboxylate (PubChem CID 5027538) has the molecular formula C25H34N2O7S2 and a molecular weight of 538.69 g/mol. Its IUPAC name is ethyl 5-propan-2-yl-2-[[2-[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyloxy]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-propan-2-yl-2-[[2-[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyloxy]acetyl]amino]thiophene-3-carboxylate
PubChem CID5027538
Molecular FormulaC25H34N2O7S2
Molecular Weight538.69 g/mol
Exact Mass538.18
IUPAC Nameethyl 5-propan-2-yl-2-[[2-[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyloxy]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)C)sc1NC(=O)COC(=O)C(C)NS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C25H34N2O7S2/c1-9-33-25(30)19-11-20(13(2)3)35-23(19)26-21(28)12-34-24(29)18(8)27-36(31,32)22-16(6)14(4)10-15(5)17(22)7/h10-11,13,18,27H,9,12H2,1-8H3,(H,26,28)
InChIKeyGFRNWLLPDGFNGO-UHFFFAOYSA-N
XLogP4.13
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.69
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 5-propan-2-yl-2-[[2-[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyloxy]acetyl]amino]thiophene-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[[2-[(1R,2R)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 7777018
ethyl 2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 7932221
[2-[(3-ethoxycarbonyl-5-propan-2-ylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772591
ethyl 2-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 3642795
ethyl 2-[[2-[2-(4-methoxyphenyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 8011407
ethyl 2-[[2-(4-carbamoylphenoxy)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 7893415
ethyl 2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 7860663
5-[(3-ethoxycarbonyl-5-propan-2-ylthiophen-2-yl)amino]-5-oxopentanoate
CID 5002103
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 4269855
ethyl 2-(3-phenylpropanoylamino)-5-propan-2-ylthiophene-3-carboxylate
CID 24720095
ethyl 2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 7916277
[2-[(3-ethoxycarbonyl-5-propan-2-ylthiophen-2-yl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2645491

Frequently Asked Questions

What is the IUPAC name of ethyl 5-propan-2-yl-2-[[2-[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyloxy]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-propan-2-yl-2-[[2-[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyloxy]acetyl]amino]thiophene-3-carboxylate (CID 5027538) is ethyl 5-propan-2-yl-2-[[2-[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyloxy]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-propan-2-yl-2-[[2-[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyloxy]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-propan-2-yl-2-[[2-[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyloxy]acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1cc(C(C)C)sc1NC(=O)COC(=O)C(C)NS(=O)(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of ethyl 5-propan-2-yl-2-[[2-[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyloxy]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is GFRNWLLPDGFNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O7S2/c1-9-33-25(30)19-11-20(13(2)3)35-23(19)26-21(28)12-34-24(29)18(8)27-36(31,32)22-16(6)14(4)10-15(5)17(22)7/h10-11,13,18,27H,9,12H2,1-8H3,(H,26,28).
What are the key properties of ethyl 5-propan-2-yl-2-[[2-[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyloxy]acetyl]amino]thiophene-3-carboxylate?
ethyl 5-propan-2-yl-2-[[2-[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyloxy]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 538.69 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-propan-2-yl-2-[[2-[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyloxy]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 5027538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).