ethyl 2-[2-(4-methoxyphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate

C20H25NO5S — CID 17034262

IUPACethyl 2-[2-(4-methoxyphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C(CC)Oc2ccc(OC)cc2)sc(C)c1C
InChIInChI=1S/C20H25NO5S/c1-6-16(26-15-10-8-14(24-5)9-11-15)18(22)21-19-17(20(23)25-7-2)12(3)13(4)27-19/h8-11,16H,6-7H2,1-5H3,(H,21,22)
InChIKeyAEOGIHTXUASGQT-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.35
Rot. Bonds8

About ethyl 2-[2-(4-methoxyphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate

ethyl 2-[2-(4-methoxyphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 17034262) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is ethyl 2-[2-(4-methoxyphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(4-methoxyphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID17034262
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Nameethyl 2-[2-(4-methoxyphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C(CC)Oc2ccc(OC)cc2)sc(C)c1C
InChIInChI=1S/C20H25NO5S/c1-6-16(26-15-10-8-14(24-5)9-11-15)18(22)21-19-17(20(23)25-7-2)12(3)13(4)27-19/h8-11,16H,6-7H2,1-5H3,(H,21,22)
InChIKeyAEOGIHTXUASGQT-UHFFFAOYSA-N
XLogP4.35
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide
CID 4950022
diethyl 5-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 1184315
ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(2S)-2-phenoxybutanoyl]amino]thiophene-3-carboxylate
CID 7027552
ethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 4583050
ethyl 2-[[4-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 5107555
ethyl 2-[[(2R)-2-(4-fluorophenoxy)butanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 92647299
ethyl 4,5-dimethyl-2-(2-phenylbutanoylamino)thiophene-3-carboxylate
CID 4069146
ethyl 2-(2-naphthalen-2-yloxybutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 43907327
ethyl 2-[(2-amino-3-methoxypropanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 81088303
[2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483536
ethyl 2-[[4-(difluoromethoxy)phenyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
CID 7943805
diethyl 5-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 1044867

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-methoxyphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[2-(4-methoxyphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate (CID 17034262) is ethyl 2-[2-(4-methoxyphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-(4-methoxyphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[2-(4-methoxyphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)C(CC)Oc2ccc(OC)cc2)sc(C)c1C.
What is the InChIKey of ethyl 2-[2-(4-methoxyphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is AEOGIHTXUASGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-6-16(26-15-10-8-14(24-5)9-11-15)18(22)21-19-17(20(23)25-7-2)12(3)13(4)27-19/h8-11,16H,6-7H2,1-5H3,(H,21,22).
What are the key properties of ethyl 2-[2-(4-methoxyphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-[2-(4-methoxyphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 391.49 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-methoxyphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 17034262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).