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

C20H23N3O2S — CID 1149347

IUPACN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-phenoxyacetamide
SMILESCC1(C)Cc2c(sc(NC(=O)COc3ccccc3)c2C#N)C(C)(C)N1
InChIInChI=1S/C20H23N3O2S/c1-19(2)10-14-15(11-21)18(26-17(14)20(3,4)23-19)22-16(24)12-25-13-8-6-5-7-9-13/h5-9,23H,10,12H2,1-4H3,(H,22,24)
InChIKeyMRGUKYCHZGCUBQ-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.80
Rot. Bonds4

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

N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-phenoxyacetamide (PubChem CID 1149347) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-phenoxyacetamide
PubChem CID1149347
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-phenoxyacetamide
SMILESCC1(C)Cc2c(sc(NC(=O)COc3ccccc3)c2C#N)C(C)(C)N1
InChIInChI=1S/C20H23N3O2S/c1-19(2)10-14-15(11-21)18(26-17(14)20(3,4)23-19)22-16(24)12-25-13-8-6-5-7-9-13/h5-9,23H,10,12H2,1-4H3,(H,22,24)
InChIKeyMRGUKYCHZGCUBQ-UHFFFAOYSA-N
XLogP3.80
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.80
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-phenoxyacetamide 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-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylphenoxy)acetamide
CID 958574
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 1188913
N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]butanamide
CID 1245437
N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide
CID 1246602
N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-naphthalen-1-yloxyacetamide
CID 1394220
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-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide
CID 871259
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

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-phenoxyacetamide?
The IUPAC name of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-phenoxyacetamide (CID 1149347) is N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-phenoxyacetamide is CC1(C)Cc2c(sc(NC(=O)COc3ccccc3)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-phenoxyacetamide?
The InChIKey is MRGUKYCHZGCUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-19(2)10-14-15(11-21)18(26-17(14)20(3,4)23-19)22-16(24)12-25-13-8-6-5-7-9-13/h5-9,23H,10,12H2,1-4H3,(H,22,24).
What are the key properties of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-phenoxyacetamide?
N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-phenoxyacetamide has a molecular weight of 369.49 g/mol, XLogP of 3.80, 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-phenoxyacetamide is sourced from PubChem (CID 1149347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).