methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate

C20H17NO4S — CID 59781241

IUPACmethyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H17NO4S/c1-24-20(23)17-11-12-26-19(17)21-18(22)13-25-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,21,22)
InChIKeyDFMCPXAVTKZKRN-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.22
Rot. Bonds6

About methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate

methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate (PubChem CID 59781241) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate
PubChem CID59781241
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Namemethyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H17NO4S/c1-24-20(23)17-11-12-26-19(17)21-18(22)13-25-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,21,22)
InChIKeyDFMCPXAVTKZKRN-UHFFFAOYSA-N
XLogP4.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43357234
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
methyl 2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]thiophene-3-carboxylate
CID 55812005
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 2126171
methyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]thiophene-3-carboxylate
CID 7166886
methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 3469007
methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate
CID 17144313
methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate
CID 23011279
4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 1015549
2-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid
CID 28860626

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate (CID 59781241) is methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is DFMCPXAVTKZKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-24-20(23)17-11-12-26-19(17)21-18(22)13-25-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,21,22).
What are the key properties of methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate?
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 367.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 59781241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).