[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate

C17H25NO5S — CID 8520673

IUPAC[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate
SMILESCCNC(=O)[C@H](C)OC(=O)CSCc1cc(OC)c(OC)cc1C
InChIInChI=1S/C17H25NO5S/c1-6-18-17(20)12(3)23-16(19)10-24-9-13-8-15(22-5)14(21-4)7-11(13)2/h7-8,12H,6,9-10H2,1-5H3,(H,18,20)/t12-/m0/s1
InChIKeyIDAAOUFJNMBMDT-LBPRGKRZSA-N
MW355.46 g/mol
LogP2.31
Rot. Bonds9

About [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate

[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate (PubChem CID 8520673) has the molecular formula C17H25NO5S and a molecular weight of 355.46 g/mol. Its IUPAC name is [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate.

Molecular Properties

Compound Name[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate
PubChem CID8520673
Molecular FormulaC17H25NO5S
Molecular Weight355.46 g/mol
Exact Mass355.15
IUPAC Name[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate
SMILESCCNC(=O)[C@H](C)OC(=O)CSCc1cc(OC)c(OC)cc1C
InChIInChI=1S/C17H25NO5S/c1-6-18-17(20)12(3)23-16(19)10-24-9-13-8-15(22-5)14(21-4)7-11(13)2/h7-8,12H,6,9-10H2,1-5H3,(H,18,20)/t12-/m0/s1
InChIKeyIDAAOUFJNMBMDT-LBPRGKRZSA-N
XLogP2.31
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate
CID 9385372
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate
CID 9385373
[(1S)-1-(3-nitrophenyl)ethyl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate
CID 9385367
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667574
(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide
CID 9044402
N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide
CID 9408968
N-[2-[[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
CID 111368067
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 8600945
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methylsulfanyl]acetate
CID 8979493
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9427535
N-[(4,5-dimethoxy-2-methylphenyl)methyl]carbamoyl bromide
CID 115193611
3-chloro-N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]benzohydrazide
CID 9428063

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate?
The IUPAC name of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate (CID 8520673) is [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate.
What is the SMILES notation for [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate?
The canonical SMILES for [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate is CCNC(=O)[C@H](C)OC(=O)CSCc1cc(OC)c(OC)cc1C.
What is the InChIKey of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate?
The InChIKey is IDAAOUFJNMBMDT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25NO5S/c1-6-18-17(20)12(3)23-16(19)10-24-9-13-8-15(22-5)14(21-4)7-11(13)2/h7-8,12H,6,9-10H2,1-5H3,(H,18,20)/t12-/m0/s1.
What are the key properties of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate?
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate has a molecular weight of 355.46 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate is sourced from PubChem (CID 8520673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).