[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate

C15H15NO4S2 — CID 2364522

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESO=C(COC(=O)CCC(=O)c1cccs1)NCc1cccs1
InChIInChI=1S/C15H15NO4S2/c17-12(13-4-2-8-22-13)5-6-15(19)20-10-14(18)16-9-11-3-1-7-21-11/h1-4,7-8H,5-6,9-10H2,(H,16,18)
InChIKeyIHXWDAPYLBGBRL-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.63
Rot. Bonds8

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

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate (PubChem CID 2364522) has the molecular formula C15H15NO4S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate
PubChem CID2364522
Molecular FormulaC15H15NO4S2
Molecular Weight337.42 g/mol
Exact Mass337.04
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESO=C(COC(=O)CCC(=O)c1cccs1)NCc1cccs1
InChIInChI=1S/C15H15NO4S2/c17-12(13-4-2-8-22-13)5-6-15(19)20-10-14(18)16-9-11-3-1-7-21-11/h1-4,7-8H,5-6,9-10H2,(H,16,18)
InChIKeyIHXWDAPYLBGBRL-UHFFFAOYSA-N
XLogP2.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(Methylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2364043
[2-(Cyclopropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2365065
[2-Oxo-2-(prop-2-enylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4299310
4-Oxo-4-thiophen-2-ylbutanoic acid [2-(ethylamino)-2-oxoethyl] ester
CID 3977672
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4544969
[(Thiophene-2-carbonyl)-amino]-acetic acid 2-oxo-2-phenyl-ethyl ester
CID 3116656
[2-Oxo-2-(2-phenylethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2103833
Thiophene-2-carboxylic acid [(thiophen-2-ylmethyl)-carbamoyl]-methyl ester
CID 2364705
[2-(Benzylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2465528
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-methylthiophene-2-carboxylate
CID 2693114
[(Thiophene-2-carbonyl)-amino]-acetic acid 2-oxo-2-thiophen-2-yl-ethyl ester
CID 652307
[2-(Butylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4300662

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate (CID 2364522) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate is O=C(COC(=O)CCC(=O)c1cccs1)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The InChIKey is IHXWDAPYLBGBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S2/c17-12(13-4-2-8-22-13)5-6-15(19)20-10-14(18)16-9-11-3-1-7-21-11/h1-4,7-8H,5-6,9-10H2,(H,16,18).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate has a molecular weight of 337.42 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate is sourced from PubChem (CID 2364522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).