N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide

C24H25FN2O3S — CID 4239464

IUPACN-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
SMILESCC(C)CN(CC(=O)N1CCc2sccc2C1c1ccc(F)cc1)C(=O)c1ccco1
InChIInChI=1S/C24H25FN2O3S/c1-16(2)14-26(24(29)20-4-3-12-30-20)15-22(28)27-11-9-21-19(10-13-31-21)23(27)17-5-7-18(25)8-6-17/h3-8,10,12-13,16,23H,9,11,14-15H2,1-2H3
InChIKeySOJIUHKHURKSAN-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.75
Rot. Bonds6

About N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide

N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide (PubChem CID 4239464) has the molecular formula C24H25FN2O3S and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
PubChem CID4239464
Molecular FormulaC24H25FN2O3S
Molecular Weight440.54 g/mol
Exact Mass440.16
IUPAC NameN-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
SMILESCC(C)CN(CC(=O)N1CCc2sccc2C1c1ccc(F)cc1)C(=O)c1ccco1
InChIInChI=1S/C24H25FN2O3S/c1-16(2)14-26(24(29)20-4-3-12-30-20)15-22(28)27-11-9-21-19(10-13-31-21)23(27)17-5-7-18(25)8-6-17/h3-8,10,12-13,16,23H,9,11,14-15H2,1-2H3
InChIKeySOJIUHKHURKSAN-UHFFFAOYSA-N
XLogP4.75
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide (CID 4239464) is N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide is CC(C)CN(CC(=O)N1CCc2sccc2C1c1ccc(F)cc1)C(=O)c1ccco1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide?
The InChIKey is SOJIUHKHURKSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3S/c1-16(2)14-26(24(29)20-4-3-12-30-20)15-22(28)27-11-9-21-19(10-13-31-21)23(27)17-5-7-18(25)8-6-17/h3-8,10,12-13,16,23H,9,11,14-15H2,1-2H3.
What are the key properties of N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide?
N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide is sourced from PubChem (CID 4239464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).