N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide

C23H21N3O4S2 — CID 1440667

IUPACN-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc(S(=O)(=O)CCc2nnc(NC(=O)COc3ccc4ccccc4c3)s2)cc1
InChIInChI=1S/C23H21N3O4S2/c1-16-6-10-20(11-7-16)32(28,29)13-12-22-25-26-23(31-22)24-21(27)15-30-19-9-8-17-4-2-3-5-18(17)14-19/h2-11,14H,12-13,15H2,1H3,(H,24,26,27)
InChIKeyNFBNCBBETNEDHP-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.03
Rot. Bonds8

About N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide

N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide (PubChem CID 1440667) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
PubChem CID1440667
Molecular FormulaC23H21N3O4S2
Molecular Weight467.57 g/mol
Exact Mass467.10
IUPAC NameN-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc(S(=O)(=O)CCc2nnc(NC(=O)COc3ccc4ccccc4c3)s2)cc1
InChIInChI=1S/C23H21N3O4S2/c1-16-6-10-20(11-7-16)32(28,29)13-12-22-25-26-23(31-22)24-21(27)15-30-19-9-8-17-4-2-3-5-18(17)14-19/h2-11,14H,12-13,15H2,1H3,(H,24,26,27)
InChIKeyNFBNCBBETNEDHP-UHFFFAOYSA-N
XLogP4.03
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methylphenoxy)-N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1440651
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813941
2-(4-methylphenyl)sulfanyl-N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 3491218
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813938
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813917
ethyl 2-[[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetate
CID 3342372
N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-[4-[2-[[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]phenoxy]acetamide
CID 11734868
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 8696893
3-fluoro-N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1440659
N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 82176492
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 17320832
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 7920328

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide (CID 1440667) is N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide is Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)COc3ccc4ccccc4c3)s2)cc1.
What is the InChIKey of N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is NFBNCBBETNEDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c1-16-6-10-20(11-7-16)32(28,29)13-12-22-25-26-23(31-22)24-21(27)15-30-19-9-8-17-4-2-3-5-18(17)14-19/h2-11,14H,12-13,15H2,1H3,(H,24,26,27).
What are the key properties of N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 467.57 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 1440667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).