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

C20H22ClN3O2S — CID 1420505

IUPAC2-(4-chlorophenoxy)-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)acetamide
SMILESCC1(C)Cc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C#N)C(C)(C)N1
InChIInChI=1S/C20H22ClN3O2S/c1-19(2)9-14-15(10-22)18(27-17(14)20(3,4)24-19)23-16(25)11-26-13-7-5-12(21)6-8-13/h5-8,24H,9,11H2,1-4H3,(H,23,25)
InChIKeyUANOLKAQSNVPJC-UHFFFAOYSA-N
MW403.94 g/mol
LogP4.45
Rot. Bonds4

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

2-(4-chlorophenoxy)-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)acetamide (PubChem CID 1420505) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)acetamide
PubChem CID1420505
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC Name2-(4-chlorophenoxy)-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)acetamide
SMILESCC1(C)Cc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C#N)C(C)(C)N1
InChIInChI=1S/C20H22ClN3O2S/c1-19(2)9-14-15(10-22)18(27-17(14)20(3,4)24-19)23-16(25)11-26-13-7-5-12(21)6-8-13/h5-8,24H,9,11H2,1-4H3,(H,23,25)
InChIKeyUANOLKAQSNVPJC-UHFFFAOYSA-N
XLogP4.45
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-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-chloro-5-methylphenoxy)-N-(3-cyano-4,5-dimethyl-2-thienyl)acetamide
CID 2225455
2-(2-tert-butylphenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 2790261
Methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4230544
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-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)acetamide (CID 1420505) is 2-(4-chlorophenoxy)-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)acetamide is CC1(C)Cc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C#N)C(C)(C)N1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)acetamide?
The InChIKey is UANOLKAQSNVPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2S/c1-19(2)9-14-15(10-22)18(27-17(14)20(3,4)24-19)23-16(25)11-26-13-7-5-12(21)6-8-13/h5-8,24H,9,11H2,1-4H3,(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)acetamide?
2-(4-chlorophenoxy)-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)acetamide has a molecular weight of 403.94 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 1420505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).