2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(3-methylphenyl)acetamide

C16H21N3O4S — CID 86989468

IUPAC2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(3-methylphenyl)acetamide
SMILESCCCCc1noc(CS(=O)(=O)CC(=O)Nc2cccc(C)c2)n1
InChIInChI=1S/C16H21N3O4S/c1-3-4-8-14-18-16(23-19-14)11-24(21,22)10-15(20)17-13-7-5-6-12(2)9-13/h5-7,9H,3-4,8,10-11H2,1-2H3,(H,17,20)
InChIKeyPBCWJLLJQKLQRW-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.27
Rot. Bonds8

About 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(3-methylphenyl)acetamide

2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(3-methylphenyl)acetamide (PubChem CID 86989468) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(3-methylphenyl)acetamide
PubChem CID86989468
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(3-methylphenyl)acetamide
SMILESCCCCc1noc(CS(=O)(=O)CC(=O)Nc2cccc(C)c2)n1
InChIInChI=1S/C16H21N3O4S/c1-3-4-8-14-18-16(23-19-14)11-24(21,22)10-15(20)17-13-7-5-6-12(2)9-13/h5-7,9H,3-4,8,10-11H2,1-2H3,(H,17,20)
InChIKeyPBCWJLLJQKLQRW-UHFFFAOYSA-N
XLogP2.27
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 86989478
2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide
CID 7731405
4-[[2-(3-methylanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731412
N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide
CID 39162194
N-(3-methylphenyl)-2-prop-2-ynylsulfonylacetamide
CID 82368875
ethyl 3-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetyl]amino]benzoate
CID 7732178
2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide
CID 28695722
3-butyl-5-[(1R)-1-[(3-methylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole
CID 95047743
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide
CID 86989471
N-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55853359
3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide
CID 113123078
3-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
CID 71296596

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(3-methylphenyl)acetamide (CID 86989468) is 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(3-methylphenyl)acetamide is CCCCc1noc(CS(=O)(=O)CC(=O)Nc2cccc(C)c2)n1.
What is the InChIKey of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(3-methylphenyl)acetamide?
The InChIKey is PBCWJLLJQKLQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-3-4-8-14-18-16(23-19-14)11-24(21,22)10-15(20)17-13-7-5-6-12(2)9-13/h5-7,9H,3-4,8,10-11H2,1-2H3,(H,17,20).
What are the key properties of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(3-methylphenyl)acetamide?
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(3-methylphenyl)acetamide has a molecular weight of 351.43 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 86989468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).