2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide

C16H20N4O2S — CID 47073273

IUPAC2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)Cc1nnc(C2CC2)o1
InChIInChI=1S/C16H20N4O2S/c1-20(10-15-18-19-16(22-15)11-7-8-11)9-14(21)17-12-5-3-4-6-13(12)23-2/h3-6,11H,7-10H2,1-2H3,(H,17,21)
InChIKeyHVFKWBZUBOXTNO-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.74
Rot. Bonds7

About 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide

2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 47073273) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID47073273
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)Cc1nnc(C2CC2)o1
InChIInChI=1S/C16H20N4O2S/c1-20(10-15-18-19-16(22-15)11-7-8-11)9-14(21)17-12-5-3-4-6-13(12)23-2/h3-6,11H,7-10H2,1-2H3,(H,17,21)
InChIKeyHVFKWBZUBOXTNO-UHFFFAOYSA-N
XLogP2.74
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 27222681
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816
2-[cyanomethyl(methyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 38214269
2-[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9105247
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 18191491
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9114988
N-(2-fluorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide;oxalic acid
CID 15945240
2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 51223505
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
2-[cyclopropyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetic acid
CID 60833392
2-[methyl(2-methylsulfonylethyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 47104704

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide (CID 47073273) is 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)Cc1nnc(C2CC2)o1.
What is the InChIKey of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is HVFKWBZUBOXTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-20(10-15-18-19-16(22-15)11-7-8-11)9-14(21)17-12-5-3-4-6-13(12)23-2/h3-6,11H,7-10H2,1-2H3,(H,17,21).
What are the key properties of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 47073273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).