[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate

C18H18N2O5S — CID 7799888

IUPAC[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESC[C@@H](OC(=O)CCC(=O)c1cccs1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H18N2O5S/c1-11(18(24)20-13-6-4-12(5-7-13)17(19)23)25-16(22)9-8-14(21)15-3-2-10-26-15/h2-7,10-11H,8-9H2,1H3,(H2,19,23)(H,20,24)/t11-/m1/s1
InChIKeyPLVJPAFLHLLXLU-LLVKDONJSA-N
MW374.42 g/mol
LogP2.38
Rot. Bonds8

About [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate

[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate (PubChem CID 7799888) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
PubChem CID7799888
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESC[C@@H](OC(=O)CCC(=O)c1cccs1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H18N2O5S/c1-11(18(24)20-13-6-4-12(5-7-13)17(19)23)25-16(22)9-8-14(21)15-3-2-10-26-15/h2-7,10-11H,8-9H2,1H3,(H2,19,23)(H,20,24)/t11-/m1/s1
InChIKeyPLVJPAFLHLLXLU-LLVKDONJSA-N
XLogP2.38
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7799576
[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 41296919
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7781384
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
CID 16609295
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 8662203
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4541464
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 55316402
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7485340
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46826748
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750903
N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 26679935
[(2R)-1-anilino-1-oxopropan-2-yl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2521332

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate?
The IUPAC name of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate (CID 7799888) is [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate.
What is the SMILES notation for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate?
The canonical SMILES for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate is C[C@@H](OC(=O)CCC(=O)c1cccs1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate?
The InChIKey is PLVJPAFLHLLXLU-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-11(18(24)20-13-6-4-12(5-7-13)17(19)23)25-16(22)9-8-14(21)15-3-2-10-26-15/h2-7,10-11H,8-9H2,1H3,(H2,19,23)(H,20,24)/t11-/m1/s1.
What are the key properties of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate?
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate has a molecular weight of 374.42 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate is sourced from PubChem (CID 7799888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).