N-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C16H20N4O3S — CID 7683217

IUPACN-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCC[C@@H](C)NC(=O)NC(=O)CSc1nnc(-c2ccccc2C)o1
InChIInChI=1S/C16H20N4O3S/c1-4-11(3)17-15(22)18-13(21)9-24-16-20-19-14(23-16)12-8-6-5-7-10(12)2/h5-8,11H,4,9H2,1-3H3,(H2,17,18,21,22)/t11-/m1/s1
InChIKeyMMJHGPVVWYIKTE-LLVKDONJSA-N
MW348.43 g/mol
LogP2.76
Rot. Bonds6

About N-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 7683217) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID7683217
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCC[C@@H](C)NC(=O)NC(=O)CSc1nnc(-c2ccccc2C)o1
InChIInChI=1S/C16H20N4O3S/c1-4-11(3)17-15(22)18-13(21)9-24-16-20-19-14(23-16)12-8-6-5-7-10(12)2/h5-8,11H,4,9H2,1-3H3,(H2,17,18,21,22)/t11-/m1/s1
InChIKeyMMJHGPVVWYIKTE-LLVKDONJSA-N
XLogP2.76
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-[(2R)-butan-2-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7682945
N-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135569671
N-[(2R)-3-methylbutan-2-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7417875
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 7417846
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 7417948
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7417796
N-[(2R)-butan-2-yl]-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 26368493
2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2R)-butan-2-yl]carbamoyl]acetamide
CID 7955175
N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9362357
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7418369
4-tert-butyl-N-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide
CID 7683145
N-[2,6-di(propan-2-yl)phenyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7682940

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 7683217) is N-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CC[C@@H](C)NC(=O)NC(=O)CSc1nnc(-c2ccccc2C)o1.
What is the InChIKey of N-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is MMJHGPVVWYIKTE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-4-11(3)17-15(22)18-13(21)9-24-16-20-19-14(23-16)12-8-6-5-7-10(12)2/h5-8,11H,4,9H2,1-3H3,(H2,17,18,21,22)/t11-/m1/s1.
What are the key properties of N-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 348.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 7683217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).