N-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]methanesulfonamide

C15H15N3O3S2 — CID 91643320

IUPACN-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCSc1nnc(-c2cccc3ccccc23)o1
InChIInChI=1S/C15H15N3O3S2/c1-23(19,20)16-9-10-22-15-18-17-14(21-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,16H,9-10H2,1H3
InChIKeyDUXRULXVVBQYCK-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.53
Rot. Bonds6

About N-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]methanesulfonamide

N-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]methanesulfonamide (PubChem CID 91643320) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]methanesulfonamide
PubChem CID91643320
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC NameN-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCSc1nnc(-c2cccc3ccccc23)o1
InChIInChI=1S/C15H15N3O3S2/c1-23(19,20)16-9-10-22-15-18-17-14(21-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,16H,9-10H2,1H3
InChIKeyDUXRULXVVBQYCK-UHFFFAOYSA-N
XLogP2.53
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.53
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

2-methyl-1-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 111459478
N-(2,6-diethylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3352297
N-(2-ethyl-6-methylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4001427
2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 4212041
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4243557
dimethyl 5-[[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 4990658
2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole
CID 47096897
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4264570
2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide
CID 3668874
N-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3605716
3-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]chromen-2-one
CID 4668510
4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 101406239

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]methanesulfonamide (CID 91643320) is N-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]methanesulfonamide is CS(=O)(=O)NCCSc1nnc(-c2cccc3ccccc23)o1.
What is the InChIKey of N-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]methanesulfonamide?
The InChIKey is DUXRULXVVBQYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-23(19,20)16-9-10-22-15-18-17-14(21-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,16H,9-10H2,1H3.
What are the key properties of N-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]methanesulfonamide?
N-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]methanesulfonamide has a molecular weight of 349.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]methanesulfonamide is sourced from PubChem (CID 91643320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).