N-(3-methoxyphenyl)-2-[2-sulfanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-3-yl]acetamide

C22H23N3O4S — CID 126170362

IUPACN-(3-methoxyphenyl)-2-[2-sulfanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-3-yl]acetamide
SMILESCOc1cccc(NC(=O)Cn2nc(COc3ccc4c(c3)CCCC4)oc2=S)c1
InChIInChI=1S/C22H23N3O4S/c1-27-18-8-4-7-17(12-18)23-20(26)13-25-22(30)29-21(24-25)14-28-19-10-9-15-5-2-3-6-16(15)11-19/h4,7-12H,2-3,5-6,13-14H2,1H3,(H,23,26)
InChIKeyCFMUKJFMOMOLOC-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.31
Rot. Bonds7

About N-(3-methoxyphenyl)-2-[2-sulfanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-3-yl]acetamide

N-(3-methoxyphenyl)-2-[2-sulfanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-3-yl]acetamide (PubChem CID 126170362) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[2-sulfanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[2-sulfanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-3-yl]acetamide
PubChem CID126170362
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-(3-methoxyphenyl)-2-[2-sulfanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-3-yl]acetamide
SMILESCOc1cccc(NC(=O)Cn2nc(COc3ccc4c(c3)CCCC4)oc2=S)c1
InChIInChI=1S/C22H23N3O4S/c1-27-18-8-4-7-17(12-18)23-20(26)13-25-22(30)29-21(24-25)14-28-19-10-9-15-5-2-3-6-16(15)11-19/h4,7-12H,2-3,5-6,13-14H2,1H3,(H,23,26)
InChIKeyCFMUKJFMOMOLOC-UHFFFAOYSA-N
XLogP4.31
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodo-2-methylphenyl)-2-[2-sulfanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-3-yl]acetamide
CID 126159413
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19458853
1-(4-phenylpiperazin-1-yl)-2-[2-sulfanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-3-yl]ethanone
CID 126176470
N-(3-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52900394
N-(4-methoxyphenyl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126011669
N-(4-iodophenyl)-2-[5-[(4-methylphenoxy)methyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide
CID 126164686
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9418841
2-[5-[(2,4-dichlorophenoxy)methyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-N-(3-methylphenyl)acetamide
CID 4751381
N-(2,3-dihydro-1H-inden-5-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 35524166
[2-(3-methoxyanilino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706242
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2567998
N-(3-methoxyphenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide
CID 4893770

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[2-sulfanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[2-sulfanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-3-yl]acetamide (CID 126170362) is N-(3-methoxyphenyl)-2-[2-sulfanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[2-sulfanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[2-sulfanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-3-yl]acetamide is COc1cccc(NC(=O)Cn2nc(COc3ccc4c(c3)CCCC4)oc2=S)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[2-sulfanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-3-yl]acetamide?
The InChIKey is CFMUKJFMOMOLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-27-18-8-4-7-17(12-18)23-20(26)13-25-22(30)29-21(24-25)14-28-19-10-9-15-5-2-3-6-16(15)11-19/h4,7-12H,2-3,5-6,13-14H2,1H3,(H,23,26).
What are the key properties of N-(3-methoxyphenyl)-2-[2-sulfanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-3-yl]acetamide?
N-(3-methoxyphenyl)-2-[2-sulfanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-3-yl]acetamide has a molecular weight of 425.51 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[2-sulfanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 126170362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).