N-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C24H22N4O3S — CID 3605716

IUPACN-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccc3ccccc23)o1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C24H22N4O3S/c29-22(25-20-10-3-4-11-21(20)28-12-14-30-15-13-28)16-32-24-27-26-23(31-24)19-9-5-7-17-6-1-2-8-18(17)19/h1-11H,12-16H2,(H,25,29)
InChIKeyDSEXAORAARSGBN-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.46
Rot. Bonds6

About N-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3605716) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID3605716
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccc3ccccc23)o1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C24H22N4O3S/c29-22(25-20-10-3-4-11-21(20)28-12-14-30-15-13-28)16-32-24-27-26-23(31-24)19-9-5-7-17-6-1-2-8-18(17)19/h1-11H,12-16H2,(H,25,29)
InChIKeyDSEXAORAARSGBN-UHFFFAOYSA-N
XLogP4.46
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4264570
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3995204
N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4031710
N-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3970288
N-(2,6-diethylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3352297
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide
CID 3538695
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3918343
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4032094
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide
CID 4555020
2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 4212041
N-(2-ethyl-6-methylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4001427
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4044383

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3605716) is N-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2cccc3ccccc23)o1)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is DSEXAORAARSGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c29-22(25-20-10-3-4-11-21(20)28-12-14-30-15-13-28)16-32-24-27-26-23(31-24)19-9-5-7-17-6-1-2-8-18(17)19/h1-11H,12-16H2,(H,25,29).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 446.53 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3605716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).