[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate

C22H22N2O5S — CID 2576955

IUPAC[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
SMILESC[C@@H](OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)C(=O)NCc1ccco1
InChIInChI=1S/C22H22N2O5S/c1-15(20(25)23-14-17-9-5-11-28-17)29-22(27)18(13-16-7-3-2-4-8-16)24-21(26)19-10-6-12-30-19/h2-12,15,18H,13-14H2,1H3,(H,23,25)(H,24,26)/t15-,18-/m1/s1
InChIKeyJWNPOKLTBRBDBL-CRAIPNDOSA-N
MW426.49 g/mol
LogP2.93
Rot. Bonds9

About [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate (PubChem CID 2576955) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
PubChem CID2576955
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
SMILESC[C@@H](OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)C(=O)NCc1ccco1
InChIInChI=1S/C22H22N2O5S/c1-15(20(25)23-14-17-9-5-11-28-17)29-22(27)18(13-16-7-3-2-4-8-16)24-21(26)19-10-6-12-30-19/h2-12,15,18H,13-14H2,1H3,(H,23,25)(H,24,26)/t15-,18-/m1/s1
InChIKeyJWNPOKLTBRBDBL-CRAIPNDOSA-N
XLogP2.93
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 654796
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55358067
[(1R)-1-(furan-2-yl)-2-[[(2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium
CID 2536417
[(1R)-1-(furan-2-yl)-2-[[(2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]ethyl]-dimethylazanium
CID 2536425
N-[1-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46442262
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578880
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578883
(2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid
CID 119364594
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 2459579
N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 2465140
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] furan-2-carboxylate
CID 651235
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate (CID 2576955) is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate is C[C@@H](OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)C(=O)NCc1ccco1.
What is the InChIKey of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is JWNPOKLTBRBDBL-CRAIPNDOSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-15(20(25)23-14-17-9-5-11-28-17)29-22(27)18(13-16-7-3-2-4-8-16)24-21(26)19-10-6-12-30-19/h2-12,15,18H,13-14H2,1H3,(H,23,25)(H,24,26)/t15-,18-/m1/s1.
What are the key properties of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 426.49 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 2576955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).