N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

C28H28N2O6S — CID 157256044

IUPACN-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)CNC(=O)c2ccc(OCCO)c(OC)c2)nc1-c1csc2c(C)cccc12
InChIInChI=1S/C28H28N2O6S/c1-4-35-24-11-9-21(30-26(24)20-16-37-27-17(2)6-5-7-19(20)27)22(32)15-29-28(33)18-8-10-23(36-13-12-31)25(14-18)34-3/h5-11,14,16,31H,4,12-13,15H2,1-3H3,(H,29,33)
InChIKeyUUAYNUVTTMOTNG-UHFFFAOYSA-N
MW520.61 g/mol
LogP4.66
Rot. Bonds11

About N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (PubChem CID 157256044) has the molecular formula C28H28N2O6S and a molecular weight of 520.61 g/mol. Its IUPAC name is N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
PubChem CID157256044
Molecular FormulaC28H28N2O6S
Molecular Weight520.61 g/mol
Exact Mass520.17
IUPAC NameN-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)CNC(=O)c2ccc(OCCO)c(OC)c2)nc1-c1csc2c(C)cccc12
InChIInChI=1S/C28H28N2O6S/c1-4-35-24-11-9-21(30-26(24)20-16-37-27-17(2)6-5-7-19(20)27)22(32)15-29-28(33)18-8-10-23(36-13-12-31)25(14-18)34-3/h5-11,14,16,31H,4,12-13,15H2,1-3H3,(H,29,33)
InChIKeyUUAYNUVTTMOTNG-UHFFFAOYSA-N
XLogP4.66
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.61
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide with MolForge

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Related Compounds

4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide
CID 159156353
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)-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
4-(2-hydroxyethoxy)-3-methoxy-N-[(2R)-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxopropan-2-yl]benzamide
CID 161012811
4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide
CID 159547078
4-(2-hydroxyethoxy)-N-[4-hydroxy-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxobutan-2-yl]-3-methoxybenzamide
CID 157082878
2-[2-methoxy-4-[[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]carbamoyl]phenoxy]acetic acid
CID 159292807
3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-phenyl-2-pyridinyl]-2-oxoethyl]benzamide
CID 158639552
N-[2-[3-hydroxy-2-(7-methyl-1-benzothiophen-3-yl)-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 159547077
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-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061868

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The IUPAC name of N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (CID 157256044) is N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is CCOc1ccc(C(=O)CNC(=O)c2ccc(OCCO)c(OC)c2)nc1-c1csc2c(C)cccc12.
What is the InChIKey of N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The InChIKey is UUAYNUVTTMOTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O6S/c1-4-35-24-11-9-21(30-26(24)20-16-37-27-17(2)6-5-7-19(20)27)22(32)15-29-28(33)18-8-10-23(36-13-12-31)25(14-18)34-3/h5-11,14,16,31H,4,12-13,15H2,1-3H3,(H,29,33).
What are the key properties of N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide has a molecular weight of 520.61 g/mol, XLogP of 4.66, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is sourced from PubChem (CID 157256044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).