N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-6-methoxypyrimidin-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide

C24H20FN3O5S — CID 90061739

IUPACN-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-6-methoxypyrimidin-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1cc(-c2csc3c(F)cccc23)nc(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C24H20FN3O5S/c1-31-19-8-7-13(9-20(19)32-2)24(30)26-11-18(29)23-27-17(10-21(28-23)33-3)15-12-34-22-14(15)5-4-6-16(22)25/h4-10,12H,11H2,1-3H3,(H,26,30)
InChIKeyJIVPBWYZPWRPIH-UHFFFAOYSA-N
MW481.51 g/mol
LogP4.14
Rot. Bonds8

About N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-6-methoxypyrimidin-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-6-methoxypyrimidin-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 90061739) has the molecular formula C24H20FN3O5S and a molecular weight of 481.51 g/mol. Its IUPAC name is N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-6-methoxypyrimidin-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-6-methoxypyrimidin-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID90061739
Molecular FormulaC24H20FN3O5S
Molecular Weight481.51 g/mol
Exact Mass481.11
IUPAC NameN-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-6-methoxypyrimidin-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1cc(-c2csc3c(F)cccc23)nc(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C24H20FN3O5S/c1-31-19-8-7-13(9-20(19)32-2)24(30)26-11-18(29)23-27-17(10-21(28-23)33-3)15-12-34-22-14(15)5-4-6-16(22)25/h4-10,12H,11H2,1-3H3,(H,26,30)
InChIKeyJIVPBWYZPWRPIH-UHFFFAOYSA-N
XLogP4.14
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(Z)-prop-1-enyl]-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90061637
N-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90061668
N-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1-methylimidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90061989
ethanol;N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 144580179
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 90061607
N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-1,3-oxazol-2-yl]-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 90062262
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-fluoro-2-methoxyethoxy)-3-methoxybenzamide
CID 90062036
N-[2-[1-(7-fluoro-1-benzothiophen-3-yl)pyrazol-3-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90062034
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-(trifluoromethoxy)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061911
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-(methoxymethyl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061983
3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-phenyl-2-pyridinyl]-2-oxoethyl]benzamide
CID 158639552
3,4-dimethoxy-N-[2-[3-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]benzamide
CID 159947532

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-6-methoxypyrimidin-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-6-methoxypyrimidin-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 90061739) is N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-6-methoxypyrimidin-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-6-methoxypyrimidin-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-6-methoxypyrimidin-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide is COc1cc(-c2csc3c(F)cccc23)nc(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-6-methoxypyrimidin-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is JIVPBWYZPWRPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O5S/c1-31-19-8-7-13(9-20(19)32-2)24(30)26-11-18(29)23-27-17(10-21(28-23)33-3)15-12-34-22-14(15)5-4-6-16(22)25/h4-10,12H,11H2,1-3H3,(H,26,30).
What are the key properties of N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-6-methoxypyrimidin-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-6-methoxypyrimidin-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 481.51 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(7-fluoro-1-benzothiophen-3-yl)-6-methoxypyrimidin-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 90061739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).