[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 3-[(4-chlorobenzoyl)amino]propanoate

C18H19ClN2O4S — CID 7827108

IUPAC[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 3-[(4-chlorobenzoyl)amino]propanoate
SMILESC[C@@H](NC(=O)COC(=O)CCNC(=O)c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C18H19ClN2O4S/c1-12(15-3-2-10-26-15)21-16(22)11-25-17(23)8-9-20-18(24)13-4-6-14(19)7-5-13/h2-7,10,12H,8-9,11H2,1H3,(H,20,24)(H,21,22)/t12-/m1/s1
InChIKeyQDWSWSDATJIZCR-GFCCVEGCSA-N
MW394.88 g/mol
LogP2.94
Rot. Bonds8

About [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 3-[(4-chlorobenzoyl)amino]propanoate

[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 3-[(4-chlorobenzoyl)amino]propanoate (PubChem CID 7827108) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 3-[(4-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 3-[(4-chlorobenzoyl)amino]propanoate
PubChem CID7827108
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 3-[(4-chlorobenzoyl)amino]propanoate
SMILESC[C@@H](NC(=O)COC(=O)CCNC(=O)c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C18H19ClN2O4S/c1-12(15-3-2-10-26-15)21-16(22)11-25-17(23)8-9-20-18(24)13-4-6-14(19)7-5-13/h2-7,10,12H,8-9,11H2,1H3,(H,20,24)(H,21,22)/t12-/m1/s1
InChIKeyQDWSWSDATJIZCR-GFCCVEGCSA-N
XLogP2.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 3-[(4-chlorobenzoyl)amino]propanoate with MolForge

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Related Compounds

4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7583413
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 28571186
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate
CID 55509058
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-(thiophene-3-carbonylamino)propanoate
CID 46609485
1-O-methyl 4-O-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] benzene-1,4-dicarboxylate
CID 7296474
[2-(2-methylsulfanylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827400
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909258
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676164
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 5-chloro-2-fluorobenzoate
CID 8624862
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-hydroxybenzoate
CID 7776980
[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] 2-amino-5-chlorobenzoate
CID 17395295

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
The IUPAC name of [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 3-[(4-chlorobenzoyl)amino]propanoate (CID 7827108) is [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 3-[(4-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
The canonical SMILES for [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 3-[(4-chlorobenzoyl)amino]propanoate is C[C@@H](NC(=O)COC(=O)CCNC(=O)c1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
The InChIKey is QDWSWSDATJIZCR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-12(15-3-2-10-26-15)21-16(22)11-25-17(23)8-9-20-18(24)13-4-6-14(19)7-5-13/h2-7,10,12H,8-9,11H2,1H3,(H,20,24)(H,21,22)/t12-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 3-[(4-chlorobenzoyl)amino]propanoate has a molecular weight of 394.88 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 3-[(4-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 7827108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).