2-[2-(diethylamino)ethylsulfanyl]-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]acetamide

C18H25N3O2S — CID 125419852

IUPAC2-[2-(diethylamino)ethylsulfanyl]-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]acetamide
SMILESCCN(CC)CCSCC(=O)Nc1ccc(-c2ncco2)cc1C
InChIInChI=1S/C18H25N3O2S/c1-4-21(5-2)9-11-24-13-17(22)20-16-7-6-15(12-14(16)3)18-19-8-10-23-18/h6-8,10,12H,4-5,9,11,13H2,1-3H3,(H,20,22)
InChIKeyVKGORDQVKAPCHU-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.66
Rot. Bonds9

About 2-[2-(diethylamino)ethylsulfanyl]-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]acetamide

2-[2-(diethylamino)ethylsulfanyl]-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]acetamide (PubChem CID 125419852) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylsulfanyl]-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylsulfanyl]-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]acetamide
PubChem CID125419852
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-[2-(diethylamino)ethylsulfanyl]-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]acetamide
SMILESCCN(CC)CCSCC(=O)Nc1ccc(-c2ncco2)cc1C
InChIInChI=1S/C18H25N3O2S/c1-4-21(5-2)9-11-24-13-17(22)20-16-7-6-15(12-14(16)3)18-19-8-10-23-18/h6-8,10,12H,4-5,9,11,13H2,1-3H3,(H,20,22)
InChIKeyVKGORDQVKAPCHU-UHFFFAOYSA-N
XLogP3.66
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 138396792
4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629127
2-methyl-5-(1,3-oxazol-2-yl)benzoic acid
CID 170993673
4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide
CID 20628760
N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride
CID 131864899
N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride
CID 3066358
2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63681213
1-(3-ethylsulfanylpropyl)-3-[3-(1,3-oxazol-2-yl)phenyl]urea
CID 122159499
4-[(2-butylsulfanylacetyl)amino]-3-methylbenzoic acid
CID 43350956
N-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide
CID 46367617
2-[2-(diethylamino)ethylsulfanyl]-N-(6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 167819100
2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide
CID 43249676

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]acetamide (CID 125419852) is 2-[2-(diethylamino)ethylsulfanyl]-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(diethylamino)ethylsulfanyl]-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(diethylamino)ethylsulfanyl]-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]acetamide is CCN(CC)CCSCC(=O)Nc1ccc(-c2ncco2)cc1C.
What is the InChIKey of 2-[2-(diethylamino)ethylsulfanyl]-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]acetamide?
The InChIKey is VKGORDQVKAPCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-4-21(5-2)9-11-24-13-17(22)20-16-7-6-15(12-14(16)3)18-19-8-10-23-18/h6-8,10,12H,4-5,9,11,13H2,1-3H3,(H,20,22).
What are the key properties of 2-[2-(diethylamino)ethylsulfanyl]-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]acetamide?
2-[2-(diethylamino)ethylsulfanyl]-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]acetamide has a molecular weight of 347.48 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylsulfanyl]-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 125419852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).