2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide

C19H28N4O2S — CID 97058788

IUPAC2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCCS[C@@H](C)c1noc(CN(C)CC(=O)Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C19H28N4O2S/c1-6-26-14(4)19-21-18(25-22-19)12-23(5)11-17(24)20-16-9-7-15(8-10-16)13(2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,20,24)/t14-/m0/s1
InChIKeyGRWZIYGSBLHNAH-AWEZNQCLSA-N
MW376.53 g/mol
LogP4.08
Rot. Bonds9

About 2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide

2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 97058788) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID97058788
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCCS[C@@H](C)c1noc(CN(C)CC(=O)Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C19H28N4O2S/c1-6-26-14(4)19-21-18(25-22-19)12-23(5)11-17(24)20-16-9-7-15(8-10-16)13(2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,20,24)/t14-/m0/s1
InChIKeyGRWZIYGSBLHNAH-AWEZNQCLSA-N
XLogP4.08
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide (CID 97058788) is 2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide is CCS[C@@H](C)c1noc(CN(C)CC(=O)Nc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is GRWZIYGSBLHNAH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-6-26-14(4)19-21-18(25-22-19)12-23(5)11-17(24)20-16-9-7-15(8-10-16)13(2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,20,24)/t14-/m0/s1.
What are the key properties of 2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide?
2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 376.53 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 97058788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).