2-[methyl-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide

C20H22N4O2S — CID 40880670

IUPAC2-[methyl-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)[C@H](C)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H22N4O2S/c1-14(19-22-23-20(26-19)15-9-5-4-6-10-15)24(2)13-18(25)21-16-11-7-8-12-17(16)27-3/h4-12,14H,13H2,1-3H3,(H,21,25)/t14-/m1/s1
InChIKeyZEFPXOGJRDUOMR-CQSZACIVSA-N
MW382.49 g/mol
LogP4.09
Rot. Bonds7

About 2-[methyl-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide

2-[methyl-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 40880670) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[methyl-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID40880670
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-[methyl-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)[C@H](C)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H22N4O2S/c1-14(19-22-23-20(26-19)15-9-5-4-6-10-15)24(2)13-18(25)21-16-11-7-8-12-17(16)27-3/h4-12,14H,13H2,1-3H3,(H,21,25)/t14-/m1/s1
InChIKeyZEFPXOGJRDUOMR-CQSZACIVSA-N
XLogP4.09
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[methyl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]acetamide
CID 55387396
N-(2-ethylphenyl)-2-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]acetamide
CID 18197537
2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide
CID 94812590
2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55410520
N-tert-butyl-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide
CID 8768310
N-(4-chlorophenyl)-2-[[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetamide
CID 8816381
(2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 8814350
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
(2R)-N-(methylcarbamoyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 9105046
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46561779
2-[cyanomethyl(methyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 38214269
methyl 2-methyl-3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanoate
CID 60704243

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[methyl-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide (CID 40880670) is 2-[methyl-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)[C@H](C)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[methyl-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is ZEFPXOGJRDUOMR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-14(19-22-23-20(26-19)15-9-5-4-6-10-15)24(2)13-18(25)21-16-11-7-8-12-17(16)27-3/h4-12,14H,13H2,1-3H3,(H,21,25)/t14-/m1/s1.
What are the key properties of 2-[methyl-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
2-[methyl-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 382.49 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 40880670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).