ethyl 2-(2-ethyl-6-methyl-N-(2-propan-2-ylsulfanylacetyl)anilino)propanoate

C19H29NO3S — CID 70505326

IUPACethyl 2-(2-ethyl-6-methyl-N-(2-propan-2-ylsulfanylacetyl)anilino)propanoate
SMILESCCOC(=O)C(C)N(C(=O)CSC(C)C)c1c(C)cccc1CC
InChIInChI=1S/C19H29NO3S/c1-7-16-11-9-10-14(5)18(16)20(15(6)19(22)23-8-2)17(21)12-24-13(3)4/h9-11,13,15H,7-8,12H2,1-6H3
InChIKeyMWZJAZNZFQXCHB-UHFFFAOYSA-N
MW351.51 g/mol
LogP3.98
Rot. Bonds8

About ethyl 2-(2-ethyl-6-methyl-N-(2-propan-2-ylsulfanylacetyl)anilino)propanoate

ethyl 2-(2-ethyl-6-methyl-N-(2-propan-2-ylsulfanylacetyl)anilino)propanoate (PubChem CID 70505326) has the molecular formula C19H29NO3S and a molecular weight of 351.51 g/mol. Its IUPAC name is ethyl 2-(2-ethyl-6-methyl-N-(2-propan-2-ylsulfanylacetyl)anilino)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-ethyl-6-methyl-N-(2-propan-2-ylsulfanylacetyl)anilino)propanoate
PubChem CID70505326
Molecular FormulaC19H29NO3S
Molecular Weight351.51 g/mol
Exact Mass351.19
IUPAC Nameethyl 2-(2-ethyl-6-methyl-N-(2-propan-2-ylsulfanylacetyl)anilino)propanoate
SMILESCCOC(=O)C(C)N(C(=O)CSC(C)C)c1c(C)cccc1CC
InChIInChI=1S/C19H29NO3S/c1-7-16-11-9-10-14(5)18(16)20(15(6)19(22)23-8-2)17(21)12-24-13(3)4/h9-11,13,15H,7-8,12H2,1-6H3
InChIKeyMWZJAZNZFQXCHB-UHFFFAOYSA-N
XLogP3.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.51
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethyl-6-methyl-N-(2-propan-2-ylsulfanylacetyl)anilino)propanoate?
The IUPAC name of ethyl 2-(2-ethyl-6-methyl-N-(2-propan-2-ylsulfanylacetyl)anilino)propanoate (CID 70505326) is ethyl 2-(2-ethyl-6-methyl-N-(2-propan-2-ylsulfanylacetyl)anilino)propanoate.
What is the SMILES notation for ethyl 2-(2-ethyl-6-methyl-N-(2-propan-2-ylsulfanylacetyl)anilino)propanoate?
The canonical SMILES for ethyl 2-(2-ethyl-6-methyl-N-(2-propan-2-ylsulfanylacetyl)anilino)propanoate is CCOC(=O)C(C)N(C(=O)CSC(C)C)c1c(C)cccc1CC.
What is the InChIKey of ethyl 2-(2-ethyl-6-methyl-N-(2-propan-2-ylsulfanylacetyl)anilino)propanoate?
The InChIKey is MWZJAZNZFQXCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3S/c1-7-16-11-9-10-14(5)18(16)20(15(6)19(22)23-8-2)17(21)12-24-13(3)4/h9-11,13,15H,7-8,12H2,1-6H3.
What are the key properties of ethyl 2-(2-ethyl-6-methyl-N-(2-propan-2-ylsulfanylacetyl)anilino)propanoate?
ethyl 2-(2-ethyl-6-methyl-N-(2-propan-2-ylsulfanylacetyl)anilino)propanoate has a molecular weight of 351.51 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethyl-6-methyl-N-(2-propan-2-ylsulfanylacetyl)anilino)propanoate is sourced from PubChem (CID 70505326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).