[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate

C17H19NO4S2 — CID 8506121

IUPAC[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate
SMILESCOc1ccccc1NC(=O)[C@H](C)OC(=O)CSCc1cccs1
InChIInChI=1S/C17H19NO4S2/c1-12(17(20)18-14-7-3-4-8-15(14)21-2)22-16(19)11-23-10-13-6-5-9-24-13/h3-9,12H,10-11H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeySKKRNVUSVOZDKV-LBPRGKRZSA-N
MW365.48 g/mol
LogP3.56
Rot. Bonds8

About [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate

[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate (PubChem CID 8506121) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate.

Molecular Properties

Compound Name[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate
PubChem CID8506121
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC Name[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate
SMILESCOc1ccccc1NC(=O)[C@H](C)OC(=O)CSCc1cccs1
InChIInChI=1S/C17H19NO4S2/c1-12(17(20)18-14-7-3-4-8-15(14)21-2)22-16(19)11-23-10-13-6-5-9-24-13/h3-9,12H,10-11H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeySKKRNVUSVOZDKV-LBPRGKRZSA-N
XLogP3.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate with MolForge

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Related Compounds

[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8506058
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8506061
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8945648
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8945638
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate
CID 7851261
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8945711
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516915
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-naphthalen-2-ylsulfanylacetate
CID 7795730
[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 2-thiophen-2-ylacetate
CID 7799100
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate
CID 55418017
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 42897910
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7952600

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate?
The IUPAC name of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate (CID 8506121) is [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate.
What is the SMILES notation for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate?
The canonical SMILES for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate is COc1ccccc1NC(=O)[C@H](C)OC(=O)CSCc1cccs1.
What is the InChIKey of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate?
The InChIKey is SKKRNVUSVOZDKV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19NO4S2/c1-12(17(20)18-14-7-3-4-8-15(14)21-2)22-16(19)11-23-10-13-6-5-9-24-13/h3-9,12H,10-11H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate?
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate has a molecular weight of 365.48 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate is sourced from PubChem (CID 8506121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).