[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-phenylmethoxybenzoate

C24H23NO5S — CID 27312952

IUPAC[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-phenylmethoxybenzoate
SMILESCC(=O)NCCc1ccc(C(=O)COC(=O)c2ccccc2OCc2ccccc2)s1
InChIInChI=1S/C24H23NO5S/c1-17(26)25-14-13-19-11-12-23(31-19)21(27)16-30-24(28)20-9-5-6-10-22(20)29-15-18-7-3-2-4-8-18/h2-12H,13-16H2,1H3,(H,25,26)
InChIKeyCAAJRNUVRZGCTO-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.05
Rot. Bonds10

About [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-phenylmethoxybenzoate

[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-phenylmethoxybenzoate (PubChem CID 27312952) has the molecular formula C24H23NO5S and a molecular weight of 437.52 g/mol. Its IUPAC name is [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-phenylmethoxybenzoate
PubChem CID27312952
Molecular FormulaC24H23NO5S
Molecular Weight437.52 g/mol
Exact Mass437.13
IUPAC Name[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-phenylmethoxybenzoate
SMILESCC(=O)NCCc1ccc(C(=O)COC(=O)c2ccccc2OCc2ccccc2)s1
InChIInChI=1S/C24H23NO5S/c1-17(26)25-14-13-19-11-12-23(31-19)21(27)16-30-24(28)20-9-5-6-10-22(20)29-15-18-7-3-2-4-8-18/h2-12H,13-16H2,1H3,(H,25,26)
InChIKeyCAAJRNUVRZGCTO-UHFFFAOYSA-N
XLogP4.05
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 18100897
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-methylbenzoate
CID 27312891
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 27350415
4-O-[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 27352967
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-phenylmethoxybenzoate
CID 28562265
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 30973767
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 27316155
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 3,4-diethoxybenzoate
CID 27315281
phenacyl 2-phenylmethoxybenzoate
CID 2565163
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate
CID 9202646
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 55448485
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 27312671

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-phenylmethoxybenzoate?
The IUPAC name of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-phenylmethoxybenzoate (CID 27312952) is [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-phenylmethoxybenzoate.
What is the SMILES notation for [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-phenylmethoxybenzoate?
The canonical SMILES for [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-phenylmethoxybenzoate is CC(=O)NCCc1ccc(C(=O)COC(=O)c2ccccc2OCc2ccccc2)s1.
What is the InChIKey of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-phenylmethoxybenzoate?
The InChIKey is CAAJRNUVRZGCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5S/c1-17(26)25-14-13-19-11-12-23(31-19)21(27)16-30-24(28)20-9-5-6-10-22(20)29-15-18-7-3-2-4-8-18/h2-12H,13-16H2,1H3,(H,25,26).
What are the key properties of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-phenylmethoxybenzoate?
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-phenylmethoxybenzoate has a molecular weight of 437.52 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-phenylmethoxybenzoate is sourced from PubChem (CID 27312952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).