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

C19H18N4O4S — CID 2105426

IUPACN-(benzylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2nnc(SCC(=O)NC(=O)NCc3ccccc3)o2)cc1
InChIInChI=1S/C19H18N4O4S/c1-26-15-9-7-14(8-10-15)17-22-23-19(27-17)28-12-16(24)21-18(25)20-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,20,21,24,25)
InChIKeyQDMYELRSZFORJL-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.86
Rot. Bonds7

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

N-(benzylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2105426) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID2105426
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC NameN-(benzylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2nnc(SCC(=O)NC(=O)NCc3ccccc3)o2)cc1
InChIInChI=1S/C19H18N4O4S/c1-26-15-9-7-14(8-10-15)17-22-23-19(27-17)28-12-16(24)21-18(25)20-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,20,21,24,25)
InChIKeyQDMYELRSZFORJL-UHFFFAOYSA-N
XLogP2.86
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 2105426) is N-(benzylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(-c2nnc(SCC(=O)NC(=O)NCc3ccccc3)o2)cc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is QDMYELRSZFORJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-26-15-9-7-14(8-10-15)17-22-23-19(27-17)28-12-16(24)21-18(25)20-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,20,21,24,25).
What are the key properties of N-(benzylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(benzylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 398.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2105426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).