methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate

C21H18N2O5S — CID 41428666

IUPACmethyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H18N2O5S/c1-27-21(26)19-16(11-12-29-19)23-18(24)13-28-17-10-6-5-9-15(17)20(25)22-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyRWMQDAHFGZFVAB-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.80
Rot. Bonds7

About methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate (PubChem CID 41428666) has the molecular formula C21H18N2O5S and a molecular weight of 410.45 g/mol. Its IUPAC name is methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate
PubChem CID41428666
Molecular FormulaC21H18N2O5S
Molecular Weight410.45 g/mol
Exact Mass410.09
IUPAC Namemethyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H18N2O5S/c1-27-21(26)19-16(11-12-29-19)23-18(24)13-28-17-10-6-5-9-15(17)20(25)22-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyRWMQDAHFGZFVAB-UHFFFAOYSA-N
XLogP3.80
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-3-carboxylate
CID 41428664
methyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate
CID 26704872
2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 26675454
2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 41428663
2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980967
2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 112778621
methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate
CID 7919593
2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide
CID 40616574
3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16770599
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
2-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 1301072
methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate
CID 61376688

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate (CID 41428666) is methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate?
The InChIKey is RWMQDAHFGZFVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5S/c1-27-21(26)19-16(11-12-29-19)23-18(24)13-28-17-10-6-5-9-15(17)20(25)22-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate has a molecular weight of 410.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 41428666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).