ethyl 4-ethyl-5-methyl-2-[[2-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxyacetyl]amino]thiophene-3-carboxylate

C25H32N2O6S — CID 5136700

IUPACethyl 4-ethyl-5-methyl-2-[[2-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)C(NC(=O)c2ccc(C)cc2)C(C)C)sc(C)c1CC
InChIInChI=1S/C25H32N2O6S/c1-7-18-16(6)34-23(20(18)24(30)32-8-2)26-19(28)13-33-25(31)21(14(3)4)27-22(29)17-11-9-15(5)10-12-17/h9-12,14,21H,7-8,13H2,1-6H3,(H,26,28)(H,27,29)
InChIKeyUGCRHHIZCDRJJK-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.04
Rot. Bonds10

About ethyl 4-ethyl-5-methyl-2-[[2-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxyacetyl]amino]thiophene-3-carboxylate

ethyl 4-ethyl-5-methyl-2-[[2-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxyacetyl]amino]thiophene-3-carboxylate (PubChem CID 5136700) has the molecular formula C25H32N2O6S and a molecular weight of 488.61 g/mol. Its IUPAC name is ethyl 4-ethyl-5-methyl-2-[[2-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxyacetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-5-methyl-2-[[2-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxyacetyl]amino]thiophene-3-carboxylate
PubChem CID5136700
Molecular FormulaC25H32N2O6S
Molecular Weight488.61 g/mol
Exact Mass488.20
IUPAC Nameethyl 4-ethyl-5-methyl-2-[[2-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)C(NC(=O)c2ccc(C)cc2)C(C)C)sc(C)c1CC
InChIInChI=1S/C25H32N2O6S/c1-7-18-16(6)34-23(20(18)24(30)32-8-2)26-19(28)13-33-25(31)21(14(3)4)27-22(29)17-11-9-15(5)10-12-17/h9-12,14,21H,7-8,13H2,1-6H3,(H,26,28)(H,27,29)
InChIKeyUGCRHHIZCDRJJK-UHFFFAOYSA-N
XLogP4.04
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-ethyl-5-methyl-2-[[2-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxyacetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 4-ethyl-2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate
CID 2538034
ethyl 4-ethyl-5-methyl-2-[[2-(5-methylthiophene-2-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 3999257
ethyl 4-ethyl-5-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]thiophene-3-carboxylate
CID 4220295
ethyl 2-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 7703410
ethyl 2-(4-benzamidobutanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate
CID 55362819
ethyl 2-(3-aminobutanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
CID 119677230
ethyl 2-[[2-(2,4-dihydroxybenzoyl)oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 7500939
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 55305619
ethyl 2-[(2-bromoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 60651187
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
ethyl 4-ethyl-5-methyl-2-[(2-phenylmethoxyacetyl)amino]thiophene-3-carboxylate
CID 55360356
[2-[(3-ethoxycarbonyl-4-ethyl-5-methylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7477324

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-5-methyl-2-[[2-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxyacetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-ethyl-5-methyl-2-[[2-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxyacetyl]amino]thiophene-3-carboxylate (CID 5136700) is ethyl 4-ethyl-5-methyl-2-[[2-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxyacetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-5-methyl-2-[[2-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxyacetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-ethyl-5-methyl-2-[[2-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxyacetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)C(NC(=O)c2ccc(C)cc2)C(C)C)sc(C)c1CC.
What is the InChIKey of ethyl 4-ethyl-5-methyl-2-[[2-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxyacetyl]amino]thiophene-3-carboxylate?
The InChIKey is UGCRHHIZCDRJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O6S/c1-7-18-16(6)34-23(20(18)24(30)32-8-2)26-19(28)13-33-25(31)21(14(3)4)27-22(29)17-11-9-15(5)10-12-17/h9-12,14,21H,7-8,13H2,1-6H3,(H,26,28)(H,27,29).
What are the key properties of ethyl 4-ethyl-5-methyl-2-[[2-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxyacetyl]amino]thiophene-3-carboxylate?
ethyl 4-ethyl-5-methyl-2-[[2-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxyacetyl]amino]thiophene-3-carboxylate has a molecular weight of 488.61 g/mol, XLogP of 4.04, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-5-methyl-2-[[2-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxyacetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 5136700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).