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

C79H70ClF3N6O14S3 — CID 157256041

IUPACN-[2-[4-chloro-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-(trifluoromethyl)-2-pyridinyl]-2-oxoethyl]benzamide;N-[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.COc1ccc(C(=O)NCC(=O)c2cc(C(F)(F)F)cc(-c3csc4c(C)cccc34)n2)cc1OC.COc1ccc(C(=O)NCC(=O)c2cc(Cl)cc(-c3csc4c(C)cccc34)n2)cc1OC
InChIInChI=1S/C28H28N2O6S.C26H21F3N2O4S.C25H21ClN2O4S/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;1-14-5-4-6-17-18(13-36-24(14)17)19-10-16(26(27,28)29)11-20(31-19)21(32)12-30-25(33)15-7-8-22(34-2)23(9-15)35-3;1-14-5-4-6-17-18(13-33-24(14)17)19-10-16(26)11-20(28-19)21(29)12-27-25(30)15-7-8-22(31-2)23(9-15)32-3/h5-11,14,16,31H,4,12-13,15H2,1-3H3,(H,29,33);4-11,13H,12H2,1-3H3,(H,30,33);4-11,13H,12H2,1-3H3,(H,27,30)
InChIKeyAWXDDPJLNYUCED-UHFFFAOYSA-N
MW1516.10 g/mol
LogP16.14
Rot. Bonds25

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

N-[2-[4-chloro-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-(trifluoromethyl)-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (PubChem CID 157256041) has the molecular formula C79H70ClF3N6O14S3 and a molecular weight of 1516.10 g/mol. Its IUPAC name is N-[2-[4-chloro-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-(trifluoromethyl)-2-pyridinyl]-2-oxoethyl]benzamide;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-[4-chloro-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-(trifluoromethyl)-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
PubChem CID157256041
Molecular FormulaC79H70ClF3N6O14S3
Molecular Weight1516.10 g/mol
Exact Mass1514.38
IUPAC NameN-[2-[4-chloro-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-(trifluoromethyl)-2-pyridinyl]-2-oxoethyl]benzamide;N-[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.COc1ccc(C(=O)NCC(=O)c2cc(C(F)(F)F)cc(-c3csc4c(C)cccc34)n2)cc1OC.COc1ccc(C(=O)NCC(=O)c2cc(Cl)cc(-c3csc4c(C)cccc34)n2)cc1OC
InChIInChI=1S/C28H28N2O6S.C26H21F3N2O4S.C25H21ClN2O4S/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;1-14-5-4-6-17-18(13-36-24(14)17)19-10-16(26(27,28)29)11-20(31-19)21(32)12-30-25(33)15-7-8-22(34-2)23(9-15)35-3;1-14-5-4-6-17-18(13-33-24(14)17)19-10-16(26)11-20(28-19)21(29)12-27-25(30)15-7-8-22(31-2)23(9-15)32-3/h5-11,14,16,31H,4,12-13,15H2,1-3H3,(H,29,33);4-11,13H,12H2,1-3H3,(H,30,33);4-11,13H,12H2,1-3H3,(H,27,30)
InChIKeyAWXDDPJLNYUCED-UHFFFAOYSA-N
XLogP16.14
TPSA262.02 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001516.10
LogP ≤ 516.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze N-[2-[4-chloro-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-(trifluoromethyl)-2-pyridinyl]-2-oxoethyl]benzamide;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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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-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-(trifluoromethyl)-2-pyridinyl]-2-oxoethyl]benzamide;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-[4-chloro-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-(trifluoromethyl)-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (CID 157256041) is N-[2-[4-chloro-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-(trifluoromethyl)-2-pyridinyl]-2-oxoethyl]benzamide;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-[4-chloro-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-(trifluoromethyl)-2-pyridinyl]-2-oxoethyl]benzamide;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-[4-chloro-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-(trifluoromethyl)-2-pyridinyl]-2-oxoethyl]benzamide;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.COc1ccc(C(=O)NCC(=O)c2cc(C(F)(F)F)cc(-c3csc4c(C)cccc34)n2)cc1OC.COc1ccc(C(=O)NCC(=O)c2cc(Cl)cc(-c3csc4c(C)cccc34)n2)cc1OC.
What is the InChIKey of N-[2-[4-chloro-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-(trifluoromethyl)-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The InChIKey is AWXDDPJLNYUCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O6S.C26H21F3N2O4S.C25H21ClN2O4S/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;1-14-5-4-6-17-18(13-36-24(14)17)19-10-16(26(27,28)29)11-20(31-19)21(32)12-30-25(33)15-7-8-22(34-2)23(9-15)35-3;1-14-5-4-6-17-18(13-33-24(14)17)19-10-16(26)11-20(28-19)21(29)12-27-25(30)15-7-8-22(31-2)23(9-15)32-3/h5-11,14,16,31H,4,12-13,15H2,1-3H3,(H,29,33);4-11,13H,12H2,1-3H3,(H,30,33);4-11,13H,12H2,1-3H3,(H,27,30).
What are the key properties of N-[2-[4-chloro-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-(trifluoromethyl)-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
N-[2-[4-chloro-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-(trifluoromethyl)-2-pyridinyl]-2-oxoethyl]benzamide;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 1516.10 g/mol, XLogP of 16.14, 25 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-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-(trifluoromethyl)-2-pyridinyl]-2-oxoethyl]benzamide;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 157256041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).