(2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate

C20H22N2O5S — CID 2097635

IUPAC(2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)OCC(=O)N1CCOCC1)c1cccs1
InChIInChI=1S/C20H22N2O5S/c23-18(22-8-10-26-11-9-22)14-27-20(25)16(13-15-5-2-1-3-6-15)21-19(24)17-7-4-12-28-17/h1-7,12,16H,8-11,13-14H2,(H,21,24)/t16-/m0/s1
InChIKeyIQFDKZQAYOXWMZ-INIZCTEOSA-N
MW402.47 g/mol
LogP1.49
Rot. Bonds7

About (2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate

(2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate (PubChem CID 2097635) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
PubChem CID2097635
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)OCC(=O)N1CCOCC1)c1cccs1
InChIInChI=1S/C20H22N2O5S/c23-18(22-8-10-26-11-9-22)14-27-20(25)16(13-15-5-2-1-3-6-15)21-19(24)17-7-4-12-28-17/h1-7,12,16H,8-11,13-14H2,(H,21,24)/t16-/m0/s1
InChIKeyIQFDKZQAYOXWMZ-INIZCTEOSA-N
XLogP1.49
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

SR8278
CID 53393127
{2-[(Thiophene-2-carbonyl)-amino]-acetylamino}-acetic acid 2-oxo-2-phenyl-ethyl ester
CID 1619081
Phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2578853
(2-Oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate
CID 3154684
Ethyl 3-(4-methylphenyl)-3-(2-thienylcarbonylamino)propanoate
CID 4989028
[2-[benzyl(ethyl)amino]-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 7986271
(Z)-4-methyl-N-(1-(3-methylthiophen-2-yl)-3-((3-morpholinopropyl)amino)-3-oxoprop-1-en-2-yl)benzamide
CID 2891946
(S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)-5-oxo-2-(thiophene-2-carboxamido)pentanoate
CID 44550726
(S)-hexyl 5-(2-(1-benzylpiperidin-4-yl)ethylamino)-2-(4-bromothiophene-2-carboxamido)-5-oxopentanoate
CID 44550727
(2S)-3-phenyl-2-[(thiophen-2-yl)formamido]propanoic acid
CID 1536646
2-Oxo-2-(2-thienyl)ethyl ({[(4-methylbenzoyl)amino]acetyl}amino)acetate
CID 1614532
4-Methyl-N-[1-(3-morpholin-4-yl-propylcarbamoyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2131946

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate (CID 2097635) is (2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate is O=C(N[C@@H](Cc1ccccc1)C(=O)OCC(=O)N1CCOCC1)c1cccs1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is IQFDKZQAYOXWMZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N2O5S/c23-18(22-8-10-26-11-9-22)14-27-20(25)16(13-15-5-2-1-3-6-15)21-19(24)17-7-4-12-28-17/h1-7,12,16H,8-11,13-14H2,(H,21,24)/t16-/m0/s1.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate?
(2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 402.47 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 2097635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).