N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-naphthalen-1-yloxyacetamide

C24H25N3O2S — CID 1394220

IUPACN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-naphthalen-1-yloxyacetamide
SMILESCC1(C)Cc2c(sc(NC(=O)COc3cccc4ccccc34)c2C#N)C(C)(C)N1
InChIInChI=1S/C24H25N3O2S/c1-23(2)12-17-18(13-25)22(30-21(17)24(3,4)27-23)26-20(28)14-29-19-11-7-9-15-8-5-6-10-16(15)19/h5-11,27H,12,14H2,1-4H3,(H,26,28)
InChIKeyXLSUVBHJXTVXSV-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.95
Rot. Bonds4

About N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-naphthalen-1-yloxyacetamide

N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-naphthalen-1-yloxyacetamide (PubChem CID 1394220) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-naphthalen-1-yloxyacetamide
PubChem CID1394220
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-naphthalen-1-yloxyacetamide
SMILESCC1(C)Cc2c(sc(NC(=O)COc3cccc4ccccc34)c2C#N)C(C)(C)N1
InChIInChI=1S/C24H25N3O2S/c1-23(2)12-17-18(13-25)22(30-21(17)24(3,4)27-23)26-20(28)14-29-19-11-7-9-15-8-5-6-10-16(15)19/h5-11,27H,12,14H2,1-4H3,(H,26,28)
InChIKeyXLSUVBHJXTVXSV-UHFFFAOYSA-N
XLogP4.95
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-naphthalen-1-yloxyacetamide with MolForge

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Related Compounds

N-(3-Cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-m-tolyloxy-acetamide
CID 924827
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenoxyacetamide
CID 775619
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 1188913
N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide
CID 1246602
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-methylphenoxy)acetamide
CID 1420660
2-(2-tert-butylphenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 2790261
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 772496
N-(3-Cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-o-tolyloxy-acetamide
CID 1720947
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-phenoxyacetamide
CID 1149347
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(4-methylphenoxy)acetamide
CID 1149349
2-(4-chlorophenoxy)-N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)acetamide
CID 1420505
N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-YL)-2-(2-methylphenoxy)acetamide
CID 759817

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-naphthalen-1-yloxyacetamide (CID 1394220) is N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-naphthalen-1-yloxyacetamide is CC1(C)Cc2c(sc(NC(=O)COc3cccc4ccccc34)c2C#N)C(C)(C)N1.
What is the InChIKey of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-naphthalen-1-yloxyacetamide?
The InChIKey is XLSUVBHJXTVXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-23(2)12-17-18(13-25)22(30-21(17)24(3,4)27-23)26-20(28)14-29-19-11-7-9-15-8-5-6-10-16(15)19/h5-11,27H,12,14H2,1-4H3,(H,26,28).
What are the key properties of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-naphthalen-1-yloxyacetamide?
N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-naphthalen-1-yloxyacetamide has a molecular weight of 419.55 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 1394220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).