[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate

C17H17N3O5S2 — CID 8975387

IUPAC[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate
SMILESCC(=O)Nc1scc(-c2cccs2)c1C(=O)O[C@@H](C)C(=O)N1CCNC1=O
InChIInChI=1S/C17H17N3O5S2/c1-9(15(22)20-6-5-18-17(20)24)25-16(23)13-11(12-4-3-7-26-12)8-27-14(13)19-10(2)21/h3-4,7-9H,5-6H2,1-2H3,(H,18,24)(H,19,21)/t9-/m0/s1
InChIKeyNVQJHPAEKQUKBY-VIFPVBQESA-N
MW407.47 g/mol
LogP2.53
Rot. Bonds5

About [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate

[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate (PubChem CID 8975387) has the molecular formula C17H17N3O5S2 and a molecular weight of 407.47 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate
PubChem CID8975387
Molecular FormulaC17H17N3O5S2
Molecular Weight407.47 g/mol
Exact Mass407.06
IUPAC Name[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate
SMILESCC(=O)Nc1scc(-c2cccs2)c1C(=O)O[C@@H](C)C(=O)N1CCNC1=O
InChIInChI=1S/C17H17N3O5S2/c1-9(15(22)20-6-5-18-17(20)24)25-16(23)13-11(12-4-3-7-26-12)8-27-14(13)19-10(2)21/h3-4,7-9H,5-6H2,1-2H3,(H,18,24)(H,19,21)/t9-/m0/s1
InChIKeyNVQJHPAEKQUKBY-VIFPVBQESA-N
XLogP2.53
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate
CID 8975423
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate
CID 8975394
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate
CID 7791813
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate
CID 7791884
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate
CID 18090807
methyl 2-[(2-acetyloxy-2-phenylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 3433986
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate
CID 18091292
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-iodobenzoate
CID 18090831
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(dimethylamino)benzoate
CID 18090949
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate
CID 8976431
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 46672158
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-difluorobenzoate
CID 8728241

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate?
The IUPAC name of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate (CID 8975387) is [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate.
What is the SMILES notation for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate?
The canonical SMILES for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate is CC(=O)Nc1scc(-c2cccs2)c1C(=O)O[C@@H](C)C(=O)N1CCNC1=O.
What is the InChIKey of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate?
The InChIKey is NVQJHPAEKQUKBY-VIFPVBQESA-N. The full InChI is InChI=1S/C17H17N3O5S2/c1-9(15(22)20-6-5-18-17(20)24)25-16(23)13-11(12-4-3-7-26-12)8-27-14(13)19-10(2)21/h3-4,7-9H,5-6H2,1-2H3,(H,18,24)(H,19,21)/t9-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate?
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 8975387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).