ethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate

C22H20N2O5S — CID 39268528

IUPACethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1
InChIInChI=1S/C22H20N2O5S/c1-2-28-20(25)14-29-18-6-3-5-17(13-18)24-21(26)15-8-10-16(11-9-15)23-22(27)19-7-4-12-30-19/h3-13H,2,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyBQWQMWGETWLNCA-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.19
Rot. Bonds8

About ethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate

ethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate (PubChem CID 39268528) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is ethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate
PubChem CID39268528
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Nameethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1
InChIInChI=1S/C22H20N2O5S/c1-2-28-20(25)14-29-18-6-3-5-17(13-18)24-21(26)15-8-10-16(11-9-15)23-22(27)19-7-4-12-30-19/h3-13H,2,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyBQWQMWGETWLNCA-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

N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide
CID 46529043
N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 34368537
N-[2-chloro-5-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 39043632
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
CID 110178338
N-[4-[(3-ethoxybenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 1048282
ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783
N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1164621
N-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide
CID 19645321
N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1341426
N-[2-[[4-[(3-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121063056
[4-(thiophene-2-carbonylamino)phenyl] 2-(3-nitrophenoxy)acetate
CID 46547004
[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate
CID 34736693

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate (CID 39268528) is ethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate is CCOC(=O)COc1cccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1.
What is the InChIKey of ethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate?
The InChIKey is BQWQMWGETWLNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c1-2-28-20(25)14-29-18-6-3-5-17(13-18)24-21(26)15-8-10-16(11-9-15)23-22(27)19-7-4-12-30-19/h3-13H,2,14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of ethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate?
ethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate 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-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate is sourced from PubChem (CID 39268528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).