[2-(benzhydrylamino)-2-oxoethyl] 2-thiophen-3-ylacetate

C21H19NO3S — CID 2337950

IUPAC[2-(benzhydrylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO3S/c23-19(14-25-20(24)13-16-11-12-26-15-16)22-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,21H,13-14H2,(H,22,23)
InChIKeyWMKHIKPPAOZABH-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.74
Rot. Bonds7

About [2-(benzhydrylamino)-2-oxoethyl] 2-thiophen-3-ylacetate

[2-(benzhydrylamino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2337950) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2337950
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO3S/c23-19(14-25-20(24)13-16-11-12-26-15-16)22-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,21H,13-14H2,(H,22,23)
InChIKeyWMKHIKPPAOZABH-UHFFFAOYSA-N
XLogP3.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Benzylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2357308
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2364508
2-(Benzylamino)-2-oxoethyl 3-methylthiophene-2-carboxylate
CID 3266695
(2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2097635
[2-(benzhydrylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2348205
2-(Benzylamino)-2-oxoethyl thiophene-2-carboxylate
CID 2355161
[2-(benzhydrylamino)-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 2367154
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2437339
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2490629
Diphenylacetylamino-acetic acid 2-oxo-2-thiophen-2-yl-ethyl ester
CID 3154680
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4283704
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 4310744

Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2337950) is [2-(benzhydrylamino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is WMKHIKPPAOZABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c23-19(14-25-20(24)13-16-11-12-26-15-16)22-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,21H,13-14H2,(H,22,23).
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(benzhydrylamino)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 365.45 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2337950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).