2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[2-(methanesulfonamido)-2-oxoethyl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N-methylsulfonylacetamide

C36H42Cl2N6O10S2 — CID 135361912

About 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[2-(methanesulfonamido)-2-oxoethyl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N-methylsulfonylacetamide

2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[2-(methanesulfonamido)-2-oxoethyl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N-methylsulfonylacetamide (PubChem CID 135361912) has the molecular formula C36H42Cl2N6O10S2 and a molecular weight of 853.80 g/mol. Its IUPAC name is 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[2-(methanesulfonamido)-2-oxoethyl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N-methylsulfonylacetamide.

Molecular Properties

• Compound Name: 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[2-(methanesulfonamido)-2-oxoethyl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N-methylsulfonylacetamide
• PubChem CID: 135361912
• Molecular Formula: C36H42Cl2N6O10S2
• Molecular Weight: 853.80 g/mol
• Exact Mass: 852.18
• IUPAC Name: 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[2-(methanesulfonamido)-2-oxoethyl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N-methylsulfonylacetamide
• SMILES: COc1nc(OCc2cccc(-c3cccc(COc4nc(OC)c(CNCC(=O)NS(C)(=O)=O)cc4Cl)c3C)c2C)c(Cl)cc1CNCC(=O)NS(C)(=O)=O
• InChI: InChI=1S/C36H42Cl2N6O10S2/c1-21-23(19-53-35-29(37)13-25(33(41-35)51-3)15-39-17-31(45)43-55(5,47)48)9-7-11-27(21)28-12-8-10-24(22(28)2)20-54-36-30(38)14-26(34(42-36)52-4)16-40-18-32(46)44-56(6,49)50/h7-14,39-40H,15-20H2,1-6H3,(H,43,45)(H,44,46)
• InChIKey: HNICMTOQEGYREH-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 213.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.80
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[2-(methanesulfonamido)-2-oxoethyl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N-methylsulfonylacetamide?

The IUPAC name of 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[2-(methanesulfonamido)-2-oxoethyl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N-methylsulfonylacetamide (CID 135361912) is 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[2-(methanesulfonamido)-2-oxoethyl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N-methylsulfonylacetamide.

What is the SMILES notation for 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[2-(methanesulfonamido)-2-oxoethyl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N-methylsulfonylacetamide?

The canonical SMILES for 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[2-(methanesulfonamido)-2-oxoethyl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N-methylsulfonylacetamide is COc1nc(OCc2cccc(-c3cccc(COc4nc(OC)c(CNCC(=O)NS(C)(=O)=O)cc4Cl)c3C)c2C)c(Cl)cc1CNCC(=O)NS(C)(=O)=O.

What is the InChIKey of 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[2-(methanesulfonamido)-2-oxoethyl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N-methylsulfonylacetamide?

The InChIKey is HNICMTOQEGYREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42Cl2N6O10S2/c1-21-23(19-53-35-29(37)13-25(33(41-35)51-3)15-39-17-31(45)43-55(5,47)48)9-7-11-27(21)28-12-8-10-24(22(28)2)20-54-36-30(38)14-26(34(42-36)52-4)16-40-18-32(46)44-56(6,49)50/h7-14,39-40H,15-20H2,1-6H3,(H,43,45)(H,44,46).

What are the key properties of 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[2-(methanesulfonamido)-2-oxoethyl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N-methylsulfonylacetamide?

2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[2-(methanesulfonamido)-2-oxoethyl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N-methylsulfonylacetamide has a molecular weight of 853.80 g/mol, XLogP of 3.57, 19 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[2-(methanesulfonamido)-2-oxoethyl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N-methylsulfonylacetamide is sourced from PubChem (CID 135361912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).