methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

C20H25NO5S — CID 5139669

IUPACmethyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOc1ccc(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1OCC
InChIInChI=1S/C20H25NO5S/c1-6-25-15-9-8-14(10-16(15)26-7-2)11-17(22)21-19-18(20(23)24-5)12(3)13(4)27-19/h8-10H,6-7,11H2,1-5H3,(H,21,22)
InChIKeyCVLVOFWZMYRVGO-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.13
Rot. Bonds8

About methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 5139669) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID5139669
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Namemethyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOc1ccc(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1OCC
InChIInChI=1S/C20H25NO5S/c1-6-25-15-9-8-14(10-16(15)26-7-2)11-17(22)21-19-18(20(23)24-5)12(3)13(4)27-19/h8-10H,6-7,11H2,1-5H3,(H,21,22)
InChIKeyCVLVOFWZMYRVGO-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4140165
ethyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8719684
5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide
CID 1293810
ethyl 4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxylate
CID 16849358
2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 28858443
diethyl 5-[3-(4-butoxy-3-ethoxyphenyl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 19236940
methyl 2-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 16550364
methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 108808755
[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylazanium
CID 2508598
methyl 2-[[2-[2-(3-fluorophenyl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8590050
ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 28692626
methyl 2-[[2-[4-(methoxymethyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 30801108

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 5139669) is methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is CCOc1ccc(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1OCC.
What is the InChIKey of methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is CVLVOFWZMYRVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-6-25-15-9-8-14(10-16(15)26-7-2)11-17(22)21-19-18(20(23)24-5)12(3)13(4)27-19/h8-10H,6-7,11H2,1-5H3,(H,21,22).
What are the key properties of methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 391.49 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 5139669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).