[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate

C15H14N2O5S2 — CID 97003900

IUPAC[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)c1cccs1)C(=O)OCC(=O)NC(=O)c1cccs1
InChIInChI=1S/C15H14N2O5S2/c1-9(16-13(19)10-4-2-6-23-10)15(21)22-8-12(18)17-14(20)11-5-3-7-24-11/h2-7,9H,8H2,1H3,(H,16,19)(H,17,18,20)/t9-/m1/s1
InChIKeyCQAUHGKVLHBETB-SECBINFHSA-N
MW366.42 g/mol
LogP1.43
Rot. Bonds6

About [2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate

[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate (PubChem CID 97003900) has the molecular formula C15H14N2O5S2 and a molecular weight of 366.42 g/mol. Its IUPAC name is [2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate
PubChem CID97003900
Molecular FormulaC15H14N2O5S2
Molecular Weight366.42 g/mol
Exact Mass366.03
IUPAC Name[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)c1cccs1)C(=O)OCC(=O)NC(=O)c1cccs1
InChIInChI=1S/C15H14N2O5S2/c1-9(16-13(19)10-4-2-6-23-10)15(21)22-8-12(18)17-14(20)11-5-3-7-24-11/h2-7,9H,8H2,1H3,(H,16,19)(H,17,18,20)/t9-/m1/s1
InChIKeyCQAUHGKVLHBETB-SECBINFHSA-N
XLogP1.43
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate
CID 55484589
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484501
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484333
prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate
CID 97003904
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484499
[(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 95572910
nonyl 2-(thiophene-2-carbonylamino)propanoate
CID 6422194
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484683
[2-(N-benzylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484254
ethyl 2-[[2-[2-(thiophene-2-carbonylamino)propanoyloxy]acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 55484502

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate (CID 97003900) is [2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate is C[C@@H](NC(=O)c1cccs1)C(=O)OCC(=O)NC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is CQAUHGKVLHBETB-SECBINFHSA-N. The full InChI is InChI=1S/C15H14N2O5S2/c1-9(16-13(19)10-4-2-6-23-10)15(21)22-8-12(18)17-14(20)11-5-3-7-24-11/h2-7,9H,8H2,1H3,(H,16,19)(H,17,18,20)/t9-/m1/s1.
What are the key properties of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate?
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 366.42 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 97003900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).