N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C20H19N3O2S — CID 7295054

IUPACN-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCSc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)CCCC4)o2)cc1
InChIInChI=1S/C20H19N3O2S/c1-26-17-10-8-14(9-11-17)19-22-23-20(25-19)21-18(24)16-7-6-13-4-2-3-5-15(13)12-16/h6-12H,2-5H2,1H3,(H,21,23,24)
InChIKeyWKZGQPRKSVRMCN-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.59
Rot. Bonds4

About N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 7295054) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID7295054
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCSc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)CCCC4)o2)cc1
InChIInChI=1S/C20H19N3O2S/c1-26-17-10-8-14(9-11-17)19-22-23-20(25-19)21-18(24)16-7-6-13-4-2-3-5-15(13)12-16/h6-12H,2-5H2,1H3,(H,21,23,24)
InChIKeyWKZGQPRKSVRMCN-UHFFFAOYSA-N
XLogP4.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7266989
N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 43977817
N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7533132
4-ethylsulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7579515
N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3292510
4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578105
3-[(4-methylphenyl)sulfonylamino]-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 121042521
4-(dibutylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3373954
2-(4-ethylsulfanylphenyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41139504
3-butoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028171
N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43977755
4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028179

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 7295054) is N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CSc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)CCCC4)o2)cc1.
What is the InChIKey of N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is WKZGQPRKSVRMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-26-17-10-8-14(9-11-17)19-22-23-20(25-19)21-18(24)16-7-6-13-4-2-3-5-15(13)12-16/h6-12H,2-5H2,1H3,(H,21,23,24).
What are the key properties of N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 7295054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).