3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylprop-1-enyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylpropyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-prop-1-en-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[4-ethenyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[4-ethyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide

C140H134N10O20S5 — CID 158305511

IUPAC3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylprop-1-enyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylpropyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-prop-1-en-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[4-ethenyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[4-ethyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESC=C(C)c1cc(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.C=Cc1cc(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.CCc1cc(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.COc1ccc(C(=O)NCC(=O)c2cc(C=C(C)C)cc(-c3csc4c(C)cccc34)n2)cc1OC.COc1ccc(C(=O)NCC(=O)c2cc(CC(C)C)cc(-c3csc4c(C)cccc34)n2)cc1OC
InChIInChI=1S/C29H30N2O4S.C29H28N2O4S.C28H26N2O4S.C27H26N2O4S.C27H24N2O4S/c2*1-17(2)11-19-12-23(22-16-36-28-18(3)7-6-8-21(22)28)31-24(13-19)25(32)15-30-29(33)20-9-10-26(34-4)27(14-20)35-5;1-16(2)19-11-22(21-15-35-27-17(3)7-6-8-20(21)27)30-23(12-19)24(31)14-29-28(32)18-9-10-25(33-4)26(13-18)34-5;2*1-5-17-11-21(20-15-34-26-16(2)7-6-8-19(20)26)29-22(12-17)23(30)14-28-27(31)18-9-10-24(32-3)25(13-18)33-4/h6-10,12-14,16-17H,11,15H2,1-5H3,(H,30,33);6-14,16H,15H2,1-5H3,(H,30,33);6-13,15H,1,14H2,2-5H3,(H,29,32);6-13,15H,5,14H2,1-4H3,(H,28,31);5-13,15H,1,14H2,2-4H3,(H,28,31)
InChIKeyGNAOCGHHMJUNQR-UHFFFAOYSA-N
MW2437.00 g/mol
LogP29.37
Rot. Bonds41

About 3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylprop-1-enyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylpropyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-prop-1-en-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[4-ethenyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[4-ethyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide

3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylprop-1-enyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylpropyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-prop-1-en-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[4-ethenyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[4-ethyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 158305511) has the molecular formula C140H134N10O20S5 and a molecular weight of 2437.00 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylprop-1-enyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylpropyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-prop-1-en-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[4-ethenyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[4-ethyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylprop-1-enyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylpropyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-prop-1-en-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[4-ethenyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[4-ethyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID158305511
Molecular FormulaC140H134N10O20S5
Molecular Weight2437.00 g/mol
Exact Mass2434.84
IUPAC Name3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylprop-1-enyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylpropyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-prop-1-en-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[4-ethenyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[4-ethyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESC=C(C)c1cc(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.C=Cc1cc(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.CCc1cc(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.COc1ccc(C(=O)NCC(=O)c2cc(C=C(C)C)cc(-c3csc4c(C)cccc34)n2)cc1OC.COc1ccc(C(=O)NCC(=O)c2cc(CC(C)C)cc(-c3csc4c(C)cccc34)n2)cc1OC
InChIInChI=1S/C29H30N2O4S.C29H28N2O4S.C28H26N2O4S.C27H26N2O4S.C27H24N2O4S/c2*1-17(2)11-19-12-23(22-16-36-28-18(3)7-6-8-21(22)28)31-24(13-19)25(32)15-30-29(33)20-9-10-26(34-4)27(14-20)35-5;1-16(2)19-11-22(21-15-35-27-17(3)7-6-8-20(21)27)30-23(12-19)24(31)14-29-28(32)18-9-10-25(33-4)26(13-18)34-5;2*1-5-17-11-21(20-15-34-26-16(2)7-6-8-19(20)26)29-22(12-17)23(30)14-28-27(31)18-9-10-24(32-3)25(13-18)33-4/h6-10,12-14,16-17H,11,15H2,1-5H3,(H,30,33);6-14,16H,15H2,1-5H3,(H,30,33);6-13,15H,1,14H2,2-5H3,(H,29,32);6-13,15H,5,14H2,1-4H3,(H,28,31);5-13,15H,1,14H2,2-4H3,(H,28,31)
InChIKeyGNAOCGHHMJUNQR-UHFFFAOYSA-N
XLogP29.37
TPSA387.60 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds41
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002437.00
LogP ≤ 529.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylprop-1-enyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylpropyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-prop-1-en-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[4-ethenyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[4-ethyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylprop-1-enyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylpropyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-prop-1-en-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[4-ethenyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[4-ethyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylprop-1-enyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylpropyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-prop-1-en-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[4-ethenyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[4-ethyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 158305511) is 3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylprop-1-enyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylpropyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-prop-1-en-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[4-ethenyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[4-ethyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylprop-1-enyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylpropyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-prop-1-en-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[4-ethenyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[4-ethyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylprop-1-enyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylpropyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-prop-1-en-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[4-ethenyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[4-ethyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide is C=C(C)c1cc(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.C=Cc1cc(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.CCc1cc(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.COc1ccc(C(=O)NCC(=O)c2cc(C=C(C)C)cc(-c3csc4c(C)cccc34)n2)cc1OC.COc1ccc(C(=O)NCC(=O)c2cc(CC(C)C)cc(-c3csc4c(C)cccc34)n2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylprop-1-enyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylpropyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-prop-1-en-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[4-ethenyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[4-ethyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is GNAOCGHHMJUNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O4S.C29H28N2O4S.C28H26N2O4S.C27H26N2O4S.C27H24N2O4S/c2*1-17(2)11-19-12-23(22-16-36-28-18(3)7-6-8-21(22)28)31-24(13-19)25(32)15-30-29(33)20-9-10-26(34-4)27(14-20)35-5;1-16(2)19-11-22(21-15-35-27-17(3)7-6-8-20(21)27)30-23(12-19)24(31)14-29-28(32)18-9-10-25(33-4)26(13-18)34-5;2*1-5-17-11-21(20-15-34-26-16(2)7-6-8-19(20)26)29-22(12-17)23(30)14-28-27(31)18-9-10-24(32-3)25(13-18)33-4/h6-10,12-14,16-17H,11,15H2,1-5H3,(H,30,33);6-14,16H,15H2,1-5H3,(H,30,33);6-13,15H,1,14H2,2-5H3,(H,29,32);6-13,15H,5,14H2,1-4H3,(H,28,31);5-13,15H,1,14H2,2-4H3,(H,28,31).
What are the key properties of 3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylprop-1-enyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylpropyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-prop-1-en-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[4-ethenyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[4-ethyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylprop-1-enyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylpropyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-prop-1-en-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[4-ethenyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[4-ethyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 2437.00 g/mol, XLogP of 29.37, 41 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylprop-1-enyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(2-methylpropyl)-2-pyridinyl]-2-oxoethyl]benzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-prop-1-en-2-yl-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[4-ethenyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[4-ethyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 158305511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).