4-(2-aminoethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;3-hydroxy-4-(2-hydroxyethoxy)-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide

C81H79N7O15S3 — CID 158680868

IUPAC4-(2-aminoethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;3-hydroxy-4-(2-hydroxyethoxy)-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)c2cc(C(C)C)cc(-c3csc4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3csc4c(C)cccc34)n2)ccc1OCCN.Cc1cccc2c(-c3cccc(C(=O)CNC(=O)c4ccc(OCCO)c(O)c4)n3)csc12
InChIInChI=1S/C29H30N2O5S.C27H27N3O5S.C25H22N2O5S/c1-17(2)20-12-23(22-16-37-28-18(3)6-5-7-21(22)28)31-24(13-20)25(33)15-30-29(34)19-8-9-26(36-11-10-32)27(14-19)35-4;1-16-5-4-6-18-19(15-36-26(16)18)25-23(33-2)10-8-20(30-25)21(31)14-29-27(32)17-7-9-22(35-12-11-28)24(13-17)34-3;1-15-4-2-5-17-18(14-33-24(15)17)19-6-3-7-20(27-19)22(30)13-26-25(31)16-8-9-23(21(29)12-16)32-11-10-28/h5-9,12-14,16-17,32H,10-11,15H2,1-4H3,(H,30,34);4-10,13,15H,11-12,14,28H2,1-3H3,(H,29,32);2-9,12,14,28-29H,10-11,13H2,1H3,(H,26,31)
InChIKeyIFCNHSQYLAYHTQ-UHFFFAOYSA-N
MW1486.76 g/mol
LogP13.59
Rot. Bonds28

About 4-(2-aminoethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;3-hydroxy-4-(2-hydroxyethoxy)-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide

4-(2-aminoethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;3-hydroxy-4-(2-hydroxyethoxy)-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide (PubChem CID 158680868) has the molecular formula C81H79N7O15S3 and a molecular weight of 1486.76 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;3-hydroxy-4-(2-hydroxyethoxy)-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;3-hydroxy-4-(2-hydroxyethoxy)-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide
PubChem CID158680868
Molecular FormulaC81H79N7O15S3
Molecular Weight1486.76 g/mol
Exact Mass1485.48
IUPAC Name4-(2-aminoethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;3-hydroxy-4-(2-hydroxyethoxy)-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)c2cc(C(C)C)cc(-c3csc4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3csc4c(C)cccc34)n2)ccc1OCCN.Cc1cccc2c(-c3cccc(C(=O)CNC(=O)c4ccc(OCCO)c(O)c4)n3)csc12
InChIInChI=1S/C29H30N2O5S.C27H27N3O5S.C25H22N2O5S/c1-17(2)20-12-23(22-16-37-28-18(3)6-5-7-21(22)28)31-24(13-20)25(33)15-30-29(34)19-8-9-26(36-11-10-32)27(14-19)35-4;1-16-5-4-6-18-19(15-36-26(16)18)25-23(33-2)10-8-20(30-25)21(31)14-29-27(32)17-7-9-22(35-12-11-28)24(13-17)34-3;1-15-4-2-5-17-18(14-33-24(15)17)19-6-3-7-20(27-19)22(30)13-26-25(31)16-8-9-23(21(29)12-16)32-11-10-28/h5-9,12-14,16-17,32H,10-11,15H2,1-4H3,(H,30,34);4-10,13,15H,11-12,14,28H2,1-3H3,(H,29,32);2-9,12,14,28-29H,10-11,13H2,1H3,(H,26,31)
InChIKeyIFCNHSQYLAYHTQ-UHFFFAOYSA-N
XLogP13.59
TPSA319.27 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001486.76
LogP ≤ 513.59
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze 4-(2-aminoethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;3-hydroxy-4-(2-hydroxyethoxy)-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide with MolForge

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Related Compounds

N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90043862
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxy-2-methoxyethoxy)-3-methoxybenzamide
CID 90044009
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90044086
N-[2-[4-ethyl-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90044461
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 90061485
4-(2-aminoethoxy)-N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide
CID 90061516
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 90061529
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-hydroxyethyl]-4-(3-hydroxypropoxy)-3-methoxybenzamide
CID 90061531
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-hydroxy-3-methoxybenzamide
CID 90061537
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]-2-oxoethyl]-4-(3-hydroxypropoxy)-3-methoxybenzamide
CID 90061539
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061596
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]benzamide
CID 90061648

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;3-hydroxy-4-(2-hydroxyethoxy)-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-(2-aminoethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;3-hydroxy-4-(2-hydroxyethoxy)-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide (CID 158680868) is 4-(2-aminoethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;3-hydroxy-4-(2-hydroxyethoxy)-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(2-aminoethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;3-hydroxy-4-(2-hydroxyethoxy)-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-(2-aminoethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;3-hydroxy-4-(2-hydroxyethoxy)-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide is COc1cc(C(=O)NCC(=O)c2cc(C(C)C)cc(-c3csc4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3csc4c(C)cccc34)n2)ccc1OCCN.Cc1cccc2c(-c3cccc(C(=O)CNC(=O)c4ccc(OCCO)c(O)c4)n3)csc12.
What is the InChIKey of 4-(2-aminoethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;3-hydroxy-4-(2-hydroxyethoxy)-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide?
The InChIKey is IFCNHSQYLAYHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O5S.C27H27N3O5S.C25H22N2O5S/c1-17(2)20-12-23(22-16-37-28-18(3)6-5-7-21(22)28)31-24(13-20)25(33)15-30-29(34)19-8-9-26(36-11-10-32)27(14-19)35-4;1-16-5-4-6-18-19(15-36-26(16)18)25-23(33-2)10-8-20(30-25)21(31)14-29-27(32)17-7-9-22(35-12-11-28)24(13-17)34-3;1-15-4-2-5-17-18(14-33-24(15)17)19-6-3-7-20(27-19)22(30)13-26-25(31)16-8-9-23(21(29)12-16)32-11-10-28/h5-9,12-14,16-17,32H,10-11,15H2,1-4H3,(H,30,34);4-10,13,15H,11-12,14,28H2,1-3H3,(H,29,32);2-9,12,14,28-29H,10-11,13H2,1H3,(H,26,31).
What are the key properties of 4-(2-aminoethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;3-hydroxy-4-(2-hydroxyethoxy)-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide?
4-(2-aminoethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;3-hydroxy-4-(2-hydroxyethoxy)-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide has a molecular weight of 1486.76 g/mol, XLogP of 13.59, 28 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;3-hydroxy-4-(2-hydroxyethoxy)-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 158680868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).