N-(3-cyanophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide

C14H14N4O2S — CID 62255609

IUPACN-(3-cyanophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
SMILESCc1nnc(SCCCC(=O)Nc2cccc(C#N)c2)o1
InChIInChI=1S/C14H14N4O2S/c1-10-17-18-14(20-10)21-7-3-6-13(19)16-12-5-2-4-11(8-12)9-15/h2,4-5,8H,3,6-7H2,1H3,(H,16,19)
InChIKeyZOXHUSIQYFLRFD-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.76
Rot. Bonds6

About N-(3-cyanophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide

N-(3-cyanophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide (PubChem CID 62255609) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
PubChem CID62255609
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(3-cyanophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
SMILESCc1nnc(SCCCC(=O)Nc2cccc(C#N)c2)o1
InChIInChI=1S/C14H14N4O2S/c1-10-17-18-14(20-10)21-7-3-6-13(19)16-12-5-2-4-11(8-12)9-15/h2,4-5,8H,3,6-7H2,1H3,(H,16,19)
InChIKeyZOXHUSIQYFLRFD-UHFFFAOYSA-N
XLogP2.76
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-butylsulfanyl-N-(3-cyanophenyl)butanamide
CID 43615804
N-(3-cyanophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78762420
N-(3-cyanophenyl)octanamide
CID 4958584
N-(3-cyanophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982247
ethyl 2-[4-(3-cyanoanilino)-4-oxobutyl]sulfanylacetate
CID 43618394
methyl 3-[4-(3-cyanoanilino)-4-oxobutyl]sulfanylpropanoate
CID 43617799
N-(3-cyanophenyl)-4-(2-methoxyethylsulfanyl)butanamide
CID 43446104
[3-(3-cyanoanilino)-3-oxopropyl]phosphonic acid
CID 125478329
N-(3-cyanophenyl)-4-(oxetan-3-ylsulfanyl)butanamide
CID 79326511
3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide
CID 131901508
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
N-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide
CID 103706215

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide?
The IUPAC name of N-(3-cyanophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide (CID 62255609) is N-(3-cyanophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide?
The canonical SMILES for N-(3-cyanophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide is Cc1nnc(SCCCC(=O)Nc2cccc(C#N)c2)o1.
What is the InChIKey of N-(3-cyanophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide?
The InChIKey is ZOXHUSIQYFLRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-10-17-18-14(20-10)21-7-3-6-13(19)16-12-5-2-4-11(8-12)9-15/h2,4-5,8H,3,6-7H2,1H3,(H,16,19).
What are the key properties of N-(3-cyanophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide?
N-(3-cyanophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide has a molecular weight of 302.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide is sourced from PubChem (CID 62255609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).