[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(hydroxymethyl)benzoate

C15H15NO4S — CID 2480361

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(hydroxymethyl)benzoate
SMILESO=C(COC(=O)c1ccc(CO)cc1)NCc1cccs1
InChIInChI=1S/C15H15NO4S/c17-9-11-3-5-12(6-4-11)15(19)20-10-14(18)16-8-13-2-1-7-21-13/h1-7,17H,8-10H2,(H,16,18)
InChIKeyXZHBDGJJCRPRBX-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.71
Rot. Bonds6

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(hydroxymethyl)benzoate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(hydroxymethyl)benzoate (PubChem CID 2480361) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(hydroxymethyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(hydroxymethyl)benzoate
PubChem CID2480361
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(hydroxymethyl)benzoate
SMILESO=C(COC(=O)c1ccc(CO)cc1)NCc1cccs1
InChIInChI=1S/C15H15NO4S/c17-9-11-3-5-12(6-4-11)15(19)20-10-14(18)16-8-13-2-1-7-21-13/h1-7,17H,8-10H2,(H,16,18)
InChIKeyXZHBDGJJCRPRBX-UHFFFAOYSA-N
XLogP1.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(hydroxymethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
[2-Oxo-2-(3-phenylpropylamino)ethyl] 3-methylthiophene-2-carboxylate
CID 2099233
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-bromobenzoate
CID 2428898
[(2-Phenylethyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
CID 2436450
2-Oxo-2-[(thiophen-2-ylmethyl)amino]ethyl 2-methylbenzoate
CID 2480348
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-difluorobenzoate
CID 2481084
(2-Oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate
CID 3154684
[1-(4-Fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3220334
2-(Benzylamino)-2-oxoethyl 3-methylthiophene-2-carboxylate
CID 3266695
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 8630918
Benzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate
CID 24819879
2-Oxo-2-(2-thienyl)ethyl ({[(4-methylbenzoyl)amino]acetyl}amino)acetate
CID 1614532

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(hydroxymethyl)benzoate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(hydroxymethyl)benzoate (CID 2480361) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(hydroxymethyl)benzoate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(hydroxymethyl)benzoate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(hydroxymethyl)benzoate is O=C(COC(=O)c1ccc(CO)cc1)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(hydroxymethyl)benzoate?
The InChIKey is XZHBDGJJCRPRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c17-9-11-3-5-12(6-4-11)15(19)20-10-14(18)16-8-13-2-1-7-21-13/h1-7,17H,8-10H2,(H,16,18).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(hydroxymethyl)benzoate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(hydroxymethyl)benzoate has a molecular weight of 305.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(hydroxymethyl)benzoate is sourced from PubChem (CID 2480361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).