N-[4-(furan-2-carbonyl)-5-methyl-6,7-dihydro-5H-thieno[3,2-b]pyridin-7-yl]-N-phenylacetamide

C21H20N2O3S — CID 11574452

IUPACN-[4-(furan-2-carbonyl)-5-methyl-6,7-dihydro-5H-thieno[3,2-b]pyridin-7-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccco2)c2ccsc21
InChIInChI=1S/C21H20N2O3S/c1-14-13-18(23(15(2)24)16-7-4-3-5-8-16)20-17(10-12-27-20)22(14)21(25)19-9-6-11-26-19/h3-12,14,18H,13H2,1-2H3
InChIKeyZWSJISQHODLSQR-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.87
Rot. Bonds3

About N-[4-(furan-2-carbonyl)-5-methyl-6,7-dihydro-5H-thieno[3,2-b]pyridin-7-yl]-N-phenylacetamide

N-[4-(furan-2-carbonyl)-5-methyl-6,7-dihydro-5H-thieno[3,2-b]pyridin-7-yl]-N-phenylacetamide (PubChem CID 11574452) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[4-(furan-2-carbonyl)-5-methyl-6,7-dihydro-5H-thieno[3,2-b]pyridin-7-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-(furan-2-carbonyl)-5-methyl-6,7-dihydro-5H-thieno[3,2-b]pyridin-7-yl]-N-phenylacetamide
PubChem CID11574452
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[4-(furan-2-carbonyl)-5-methyl-6,7-dihydro-5H-thieno[3,2-b]pyridin-7-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccco2)c2ccsc21
InChIInChI=1S/C21H20N2O3S/c1-14-13-18(23(15(2)24)16-7-4-3-5-8-16)20-17(10-12-27-20)22(14)21(25)19-9-6-11-26-19/h3-12,14,18H,13H2,1-2H3
InChIKeyZWSJISQHODLSQR-UHFFFAOYSA-N
XLogP4.87
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide
CID 58859938
N-(4-chlorophenyl)-N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 58859796
N-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide
CID 29400498
N-[(2S,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylfuran-2-carboxamide
CID 131726425
N-[1-(furan-2-carbonyl)-2,2-dimethyl-3,4-dihydroquinolin-4-yl]-N-phenylacetamide
CID 58859727
N-[(2S,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69426063
N-[(2S,4R)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide
CID 41474589
N-[(2R,4S)-1-(2-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 2306858
N-[(2S,4R)-1-benzoyl-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69430884
N-[1-(3,5-dimethylthiophene-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 58859966
N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 40721142
N-[(2S,4R)-1-benzoyl-7-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69428809

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-carbonyl)-5-methyl-6,7-dihydro-5H-thieno[3,2-b]pyridin-7-yl]-N-phenylacetamide?
The IUPAC name of N-[4-(furan-2-carbonyl)-5-methyl-6,7-dihydro-5H-thieno[3,2-b]pyridin-7-yl]-N-phenylacetamide (CID 11574452) is N-[4-(furan-2-carbonyl)-5-methyl-6,7-dihydro-5H-thieno[3,2-b]pyridin-7-yl]-N-phenylacetamide.
What is the SMILES notation for N-[4-(furan-2-carbonyl)-5-methyl-6,7-dihydro-5H-thieno[3,2-b]pyridin-7-yl]-N-phenylacetamide?
The canonical SMILES for N-[4-(furan-2-carbonyl)-5-methyl-6,7-dihydro-5H-thieno[3,2-b]pyridin-7-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccco2)c2ccsc21.
What is the InChIKey of N-[4-(furan-2-carbonyl)-5-methyl-6,7-dihydro-5H-thieno[3,2-b]pyridin-7-yl]-N-phenylacetamide?
The InChIKey is ZWSJISQHODLSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-14-13-18(23(15(2)24)16-7-4-3-5-8-16)20-17(10-12-27-20)22(14)21(25)19-9-6-11-26-19/h3-12,14,18H,13H2,1-2H3.
What are the key properties of N-[4-(furan-2-carbonyl)-5-methyl-6,7-dihydro-5H-thieno[3,2-b]pyridin-7-yl]-N-phenylacetamide?
N-[4-(furan-2-carbonyl)-5-methyl-6,7-dihydro-5H-thieno[3,2-b]pyridin-7-yl]-N-phenylacetamide has a molecular weight of 380.47 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-carbonyl)-5-methyl-6,7-dihydro-5H-thieno[3,2-b]pyridin-7-yl]-N-phenylacetamide is sourced from PubChem (CID 11574452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).