N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

C20H17FN2O3S — CID 134024797

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESO=C(NC1CCSc2ccc(F)cc21)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C20H17FN2O3S/c21-13-4-7-18-15(11-13)16(8-10-27-18)22-20(25)17-6-5-14(26-17)12-23-9-2-1-3-19(23)24/h1-7,9,11,16H,8,10,12H2,(H,22,25)
InChIKeyDDUWNSQOHVESSU-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.60
Rot. Bonds4

About N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 134024797) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
PubChem CID134024797
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESO=C(NC1CCSc2ccc(F)cc21)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C20H17FN2O3S/c21-13-4-7-18-15(11-13)16(8-10-27-18)22-20(25)17-6-5-14(26-17)12-23-9-2-1-3-19(23)24/h1-7,9,11,16H,8,10,12H2,(H,22,25)
InChIKeyDDUWNSQOHVESSU-UHFFFAOYSA-N
XLogP3.60
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 24643566
4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26468741
N-[(2,4-difluorophenyl)methyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 38230002
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide
CID 26468733
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-hydroxyphenyl)acetamide
CID 78820326
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide
CID 26468672
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide
CID 26468671
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
N-[(2R)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597946
N-[(2S)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597949
N-(1-adamantylmethyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 38029532
4-(ethylsulfanylmethyl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 75903187

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (CID 134024797) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is O=C(NC1CCSc2ccc(F)cc21)c1ccc(Cn2ccccc2=O)o1.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The InChIKey is DDUWNSQOHVESSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c21-13-4-7-18-15(11-13)16(8-10-27-18)22-20(25)17-6-5-14(26-17)12-23-9-2-1-3-19(23)24/h1-7,9,11,16H,8,10,12H2,(H,22,25).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 134024797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).