[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-benzamido-3-hydroxypropanoate

C17H18N2O5S — CID 55885608

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-benzamido-3-hydroxypropanoate
SMILESO=C(COC(=O)C(CO)NC(=O)c1ccccc1)NCc1cccs1
InChIInChI=1S/C17H18N2O5S/c20-10-14(19-16(22)12-5-2-1-3-6-12)17(23)24-11-15(21)18-9-13-7-4-8-25-13/h1-8,14,20H,9-11H2,(H,18,21)(H,19,22)
InChIKeyTZAXSBZCMOYXNO-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.70
Rot. Bonds8

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-benzamido-3-hydroxypropanoate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-benzamido-3-hydroxypropanoate (PubChem CID 55885608) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-benzamido-3-hydroxypropanoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-benzamido-3-hydroxypropanoate
PubChem CID55885608
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-benzamido-3-hydroxypropanoate
SMILESO=C(COC(=O)C(CO)NC(=O)c1ccccc1)NCc1cccs1
InChIInChI=1S/C17H18N2O5S/c20-10-14(19-16(22)12-5-2-1-3-6-12)17(23)24-11-15(21)18-9-13-7-4-8-25-13/h1-8,14,20H,9-11H2,(H,18,21)(H,19,22)
InChIKeyTZAXSBZCMOYXNO-UHFFFAOYSA-N
XLogP0.70
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484501
N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide
CID 39769052
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570693
bis[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-but-2-enedioate
CID 35700522
(2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 80757322
N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 892758
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7899204
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate
CID 2480266
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582560
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-carboxylate
CID 2364071
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 3372467

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-benzamido-3-hydroxypropanoate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-benzamido-3-hydroxypropanoate (CID 55885608) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-benzamido-3-hydroxypropanoate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-benzamido-3-hydroxypropanoate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-benzamido-3-hydroxypropanoate is O=C(COC(=O)C(CO)NC(=O)c1ccccc1)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-benzamido-3-hydroxypropanoate?
The InChIKey is TZAXSBZCMOYXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c20-10-14(19-16(22)12-5-2-1-3-6-12)17(23)24-11-15(21)18-9-13-7-4-8-25-13/h1-8,14,20H,9-11H2,(H,18,21)(H,19,22).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-benzamido-3-hydroxypropanoate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-benzamido-3-hydroxypropanoate has a molecular weight of 362.41 g/mol, XLogP of 0.70, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-benzamido-3-hydroxypropanoate is sourced from PubChem (CID 55885608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).