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

C22H20N2O5S — CID 41428664

IUPACethyl 2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H20N2O5S/c1-2-28-22(27)17-12-13-30-21(17)24-19(25)14-29-18-11-7-6-10-16(18)20(26)23-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyROFSPBROPCORMF-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.19
Rot. Bonds8

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

ethyl 2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-3-carboxylate (PubChem CID 41428664) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-3-carboxylate
PubChem CID41428664
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Nameethyl 2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H20N2O5S/c1-2-28-22(27)17-12-13-30-21(17)24-19(25)14-29-18-11-7-6-10-16(18)20(26)23-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyROFSPBROPCORMF-UHFFFAOYSA-N
XLogP4.19
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(2-methoxybenzoyl)amino]thiophene-3-carboxylate
CID 7164081
methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate
CID 41428666
2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980967
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate
CID 8606761
ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate
CID 60512305
2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide
CID 40616574
ethyl N-[4-[(2-ethoxybenzoyl)amino]phenyl]carbamate
CID 110178230
ethyl 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 28693999
ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate
CID 7694825
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide
CID 8866379

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-3-carboxylate (CID 41428664) is ethyl 2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of ethyl 2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is ROFSPBROPCORMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c1-2-28-22(27)17-12-13-30-21(17)24-19(25)14-29-18-11-7-6-10-16(18)20(26)23-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of ethyl 2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-3-carboxylate?
ethyl 2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 424.48 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 41428664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).