[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate

C16H18N2O4S — CID 7602649

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCCO)NCc1cccs1
InChIInChI=1S/C16H18N2O4S/c19-8-7-17-14-6-2-1-5-13(14)16(21)22-11-15(20)18-10-12-4-3-9-23-12/h1-6,9,17,19H,7-8,10-11H2,(H,18,20)
InChIKeyINSGVAAPNXCGBE-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.63
Rot. Bonds8

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

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate (PubChem CID 7602649) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate
PubChem CID7602649
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCCO)NCc1cccs1
InChIInChI=1S/C16H18N2O4S/c19-8-7-17-14-6-2-1-5-13(14)16(21)22-11-15(20)18-10-12-4-3-9-23-12/h1-6,9,17,19H,7-8,10-11H2,(H,18,20)
InChIKeyINSGVAAPNXCGBE-UHFFFAOYSA-N
XLogP1.63
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Thiophene-2-amido)benzoic acid
CID 643302
2-(thiophen-3-ylmethylamino)benzoic Acid
CID 1939718
Ethyl 2-(4-morpholinyl)-5-[(2-thienylmethyl)amino]benzoate
CID 3162053
Ethyl 2-morpholin-4-yl-5-(2-thienylcarbonylamino)benzoate
CID 3163308
Methyl 3-{[(1-butyl-2-hydroxy-4-oxo-1,4-dihydroquinolin-3-yl)carbonyl]amino}thiophene-2-carboxylate
CID 54681785
2-[(2-Thienylmethyl)amino]benzoic acid
CID 6472859
Methyl 2-[(2-thienylcarbonyl)amino]benzoate
CID 681893
Methyl 2-(4-morpholinyl)-5-[(2-thienylmethyl)amino]benzoate
CID 666194
Ethyl 2-(thiophene-2-carbonylamino)benzoate
CID 677613
Dimethyl 2-[(2-thiophen-2-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 821004
2-[4-(Difluoromethylthio)anilino]benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester
CID 2098158
[2-(3-Acetylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 2353604

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate (CID 7602649) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate is O=C(COC(=O)c1ccccc1NCCO)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate?
The InChIKey is INSGVAAPNXCGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c19-8-7-17-14-6-2-1-5-13(14)16(21)22-11-15(20)18-10-12-4-3-9-23-12/h1-6,9,17,19H,7-8,10-11H2,(H,18,20).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate has a molecular weight of 334.40 g/mol, XLogP of 1.63, 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-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 7602649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).