[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate

C16H15ClN2O5S — CID 26767677

IUPAC[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(Cl)cc1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C16H15ClN2O5S/c1-9(15(22)19-16-12(14(18)21)6-7-25-16)24-13(20)8-23-11-4-2-10(17)3-5-11/h2-7,9H,8H2,1H3,(H2,18,21)(H,19,22)/t9-/m1/s1
InChIKeyXLYKRKGWIUEQGI-SECBINFHSA-N
MW382.83 g/mol
LogP2.45
Rot. Bonds7

About [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate

[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate (PubChem CID 26767677) has the molecular formula C16H15ClN2O5S and a molecular weight of 382.83 g/mol. Its IUPAC name is [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
PubChem CID26767677
Molecular FormulaC16H15ClN2O5S
Molecular Weight382.83 g/mol
Exact Mass382.04
IUPAC Name[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(Cl)cc1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C16H15ClN2O5S/c1-9(15(22)19-16-12(14(18)21)6-7-25-16)24-13(20)8-23-11-4-2-10(17)3-5-11/h2-7,9H,8H2,1H3,(H2,18,21)(H,19,22)/t9-/m1/s1
InChIKeyXLYKRKGWIUEQGI-SECBINFHSA-N
XLogP2.45
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate with MolForge

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Related Compounds

[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate
CID 55419469
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate
CID 8639189
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 55420776
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 40820884
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 55423548
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8945711
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2,5-difluorophenyl)sulfanylacetate
CID 9000972
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate
CID 55416907
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
CID 8977664
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 41325166
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 55416666
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] benzoate
CID 25387908

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate (CID 26767677) is [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate is C[C@@H](OC(=O)COc1ccc(Cl)cc1)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate?
The InChIKey is XLYKRKGWIUEQGI-SECBINFHSA-N. The full InChI is InChI=1S/C16H15ClN2O5S/c1-9(15(22)19-16-12(14(18)21)6-7-25-16)24-13(20)8-23-11-4-2-10(17)3-5-11/h2-7,9H,8H2,1H3,(H2,18,21)(H,19,22)/t9-/m1/s1.
What are the key properties of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate?
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate has a molecular weight of 382.83 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 26767677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).