N-(6-acetyl-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-difluorobenzamide;ethane

C19H22F2N2O2S — CID 178170454

IUPACN-(6-acetyl-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-difluorobenzamide;ethane
SMILESCC.CC(=O)N1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2C)C1
InChIInChI=1S/C17H16F2N2O2S.C2H6/c1-9-11-6-7-21(10(2)22)8-14(11)24-17(9)20-16(23)15-12(18)4-3-5-13(15)19;1-2/h3-5H,6-8H2,1-2H3,(H,20,23);1-2H3
InChIKeyQHJCGQQUOMFODD-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.52
Rot. Bonds2

About N-(6-acetyl-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-difluorobenzamide;ethane

N-(6-acetyl-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-difluorobenzamide;ethane (PubChem CID 178170454) has the molecular formula C19H22F2N2O2S and a molecular weight of 380.46 g/mol. Its IUPAC name is N-(6-acetyl-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-difluorobenzamide;ethane.

Molecular Properties

Compound NameN-(6-acetyl-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-difluorobenzamide;ethane
PubChem CID178170454
Molecular FormulaC19H22F2N2O2S
Molecular Weight380.46 g/mol
Exact Mass380.14
IUPAC NameN-(6-acetyl-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-difluorobenzamide;ethane
SMILESCC.CC(=O)N1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2C)C1
InChIInChI=1S/C17H16F2N2O2S.C2H6/c1-9-11-6-7-21(10(2)22)8-14(11)24-17(9)20-16(23)15-12(18)4-3-5-13(15)19;1-2/h3-5H,6-8H2,1-2H3,(H,20,23);1-2H3
InChIKeyQHJCGQQUOMFODD-UHFFFAOYSA-N
XLogP4.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(6-acetyl-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-difluorobenzamide;ethane with MolForge

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Related Compounds

methyl 6-acetyl-2-[(2-fluorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3415722
6-acetyl-2-[(4-fluorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861161
6-O-ethyl 3-O-methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 43993297
6-acetyl-2-[(4-acetylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3388169
ethyl 6-acetyl-2-[(3-methylsulfanylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 7565206
methyl 6-acetyl-2-[(3-bromobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3513473
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methylsulfanylbenzamide
CID 7266903
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,4-difluorobenzamide
CID 43950810
ethyl 6-acetyl-2-[(2-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4667439
methyl 6-acetyl-2-[(2-methylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 18573706
6-acetyl-2-[(2,4-dichlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3264153
6-(3-fluoro-2-methylbenzoyl)-2-[(4-propylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 10096694

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-difluorobenzamide;ethane?
The IUPAC name of N-(6-acetyl-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-difluorobenzamide;ethane (CID 178170454) is N-(6-acetyl-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-difluorobenzamide;ethane.
What is the SMILES notation for N-(6-acetyl-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-difluorobenzamide;ethane?
The canonical SMILES for N-(6-acetyl-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-difluorobenzamide;ethane is CC.CC(=O)N1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2C)C1.
What is the InChIKey of N-(6-acetyl-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-difluorobenzamide;ethane?
The InChIKey is QHJCGQQUOMFODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2S.C2H6/c1-9-11-6-7-21(10(2)22)8-14(11)24-17(9)20-16(23)15-12(18)4-3-5-13(15)19;1-2/h3-5H,6-8H2,1-2H3,(H,20,23);1-2H3.
What are the key properties of N-(6-acetyl-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-difluorobenzamide;ethane?
N-(6-acetyl-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-difluorobenzamide;ethane has a molecular weight of 380.46 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-difluorobenzamide;ethane is sourced from PubChem (CID 178170454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).