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

C15H13N3O2S2 — CID 2593023

IUPACN-(3-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1cccc(NC(=O)CSc2nnc(-c3cccs3)o2)c1
InChIInChI=1S/C15H13N3O2S2/c1-10-4-2-5-11(8-10)16-13(19)9-22-15-18-17-14(20-15)12-6-3-7-21-12/h2-8H,9H2,1H3,(H,16,19)
InChIKeyCVMVQTVLUMJXQF-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.84
Rot. Bonds5

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

N-(3-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2593023) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID2593023
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-(3-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1cccc(NC(=O)CSc2nnc(-c3cccs3)o2)c1
InChIInChI=1S/C15H13N3O2S2/c1-10-4-2-5-11(8-10)16-13(19)9-22-15-18-17-14(20-15)12-6-3-7-21-12/h2-8H,9H2,1H3,(H,16,19)
InChIKeyCVMVQTVLUMJXQF-UHFFFAOYSA-N
XLogP3.84
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 2593023) is N-(3-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)o2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is CVMVQTVLUMJXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-10-4-2-5-11(8-10)16-13(19)9-22-15-18-17-14(20-15)12-6-3-7-21-12/h2-8H,9H2,1H3,(H,16,19).
What are the key properties of N-(3-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(3-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2593023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).