[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-hydroxyethylamino)benzoate

C16H17N3O5S — CID 24979923

IUPAC[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-hydroxyethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCCO)NNC(=O)c1cccs1
InChIInChI=1S/C16H17N3O5S/c20-8-7-17-12-5-2-1-4-11(12)16(23)24-10-14(21)18-19-15(22)13-6-3-9-25-13/h1-6,9,17,20H,7-8,10H2,(H,18,21)(H,19,22)
InChIKeyRWMBDENMWCGJMA-UHFFFAOYSA-N
MW363.40 g/mol
LogP0.77
Rot. Bonds7

About [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-hydroxyethylamino)benzoate

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-hydroxyethylamino)benzoate (PubChem CID 24979923) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-hydroxyethylamino)benzoate
PubChem CID24979923
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-hydroxyethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCCO)NNC(=O)c1cccs1
InChIInChI=1S/C16H17N3O5S/c20-8-7-17-12-5-2-1-4-11(12)16(23)24-10-14(21)18-19-15(22)13-6-3-9-25-13/h1-6,9,17,20H,7-8,10H2,(H,18,21)(H,19,22)
InChIKeyRWMBDENMWCGJMA-UHFFFAOYSA-N
XLogP0.77
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(4-morpholinyl)-5-[(2-thienylmethyl)amino]benzoate
CID 3162053
Ethyl 2-morpholin-4-yl-5-(2-thienylcarbonylamino)benzoate
CID 3163308
Methyl 2-(4-morpholinyl)-5-[(2-thienylmethyl)amino]benzoate
CID 666194
Ethyl 2-(thiophene-2-carbonylamino)benzoate
CID 677613
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate
CID 3432786
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-acetamidobenzoate
CID 4828912
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602649
[2-[(1,1-Dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 24686437
Ethyl 2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]benzoate
CID 24688053
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(methanesulfonamido)benzoate
CID 2471603
Methyl 2-morpholin-4-yl-5-(2-thienylcarbonylamino)benzoate
CID 2809855
methyl 2-[[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxyacetyl]amino]benzoate
CID 9463191

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-hydroxyethylamino)benzoate?
The IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-hydroxyethylamino)benzoate (CID 24979923) is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-hydroxyethylamino)benzoate?
The canonical SMILES for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-hydroxyethylamino)benzoate is O=C(COC(=O)c1ccccc1NCCO)NNC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-hydroxyethylamino)benzoate?
The InChIKey is RWMBDENMWCGJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c20-8-7-17-12-5-2-1-4-11(12)16(23)24-10-14(21)18-19-15(22)13-6-3-9-25-13/h1-6,9,17,20H,7-8,10H2,(H,18,21)(H,19,22).
What are the key properties of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-hydroxyethylamino)benzoate?
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-hydroxyethylamino)benzoate has a molecular weight of 363.40 g/mol, XLogP of 0.77, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 24979923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).