ditert-butyl 2-[2-[2-[[4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2,6-dimethoxybenzoyl]amino]ethoxy]ethoxy]ethyl phosphate

C51H69N6O14PS — CID 153326092

About ditert-butyl 2-[2-[2-[[4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2,6-dimethoxybenzoyl]amino]ethoxy]ethoxy]ethyl phosphate

ditert-butyl 2-[2-[2-[[4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2,6-dimethoxybenzoyl]amino]ethoxy]ethoxy]ethyl phosphate (PubChem CID 153326092) has the molecular formula C51H69N6O14PS and a molecular weight of 1053.18 g/mol. Its IUPAC name is ditert-butyl 2-[2-[2-[[4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2,6-dimethoxybenzoyl]amino]ethoxy]ethoxy]ethyl phosphate.

Molecular Properties

• Compound Name: ditert-butyl 2-[2-[2-[[4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2,6-dimethoxybenzoyl]amino]ethoxy]ethoxy]ethyl phosphate
• PubChem CID: 153326092
• Molecular Formula: C51H69N6O14PS
• Molecular Weight: 1053.18 g/mol
• Exact Mass: 1052.43
• IUPAC Name: ditert-butyl 2-[2-[2-[[4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2,6-dimethoxybenzoyl]amino]ethoxy]ethoxy]ethyl phosphate
• SMILES: COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCOCCOCCOP(=O)(OC(C)(C)C)OC(C)(C)C
• InChI: InChI=1S/C51H69N6O14PS/c1-49(2,3)33-28-39(46(65-12)40(29-33)57-73(13,61)62)56-48(59)55-38-18-19-41(37-17-15-14-16-36(37)38)69-35-20-21-52-44(32-35)54-34-30-42(63-10)45(43(31-34)64-11)47(58)53-22-23-66-24-25-67-26-27-68-72(60,70-50(4,5)6)71-51(7,8)9/h14-21,28-32,57H,22-27H2,1-13H3,(H,52,54)(H,53,58)(H2,55,56,59)
• InChIKey: WAPAJHNFYNKZPV-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 241.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1053.18
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 2-[2-[2-[[4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2,6-dimethoxybenzoyl]amino]ethoxy]ethoxy]ethyl phosphate?

The IUPAC name of ditert-butyl 2-[2-[2-[[4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2,6-dimethoxybenzoyl]amino]ethoxy]ethoxy]ethyl phosphate (CID 153326092) is ditert-butyl 2-[2-[2-[[4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2,6-dimethoxybenzoyl]amino]ethoxy]ethoxy]ethyl phosphate.

What is the SMILES notation for ditert-butyl 2-[2-[2-[[4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2,6-dimethoxybenzoyl]amino]ethoxy]ethoxy]ethyl phosphate?

The canonical SMILES for ditert-butyl 2-[2-[2-[[4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2,6-dimethoxybenzoyl]amino]ethoxy]ethoxy]ethyl phosphate is COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCOCCOCCOP(=O)(OC(C)(C)C)OC(C)(C)C.

What is the InChIKey of ditert-butyl 2-[2-[2-[[4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2,6-dimethoxybenzoyl]amino]ethoxy]ethoxy]ethyl phosphate?

The InChIKey is WAPAJHNFYNKZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H69N6O14PS/c1-49(2,3)33-28-39(46(65-12)40(29-33)57-73(13,61)62)56-48(59)55-38-18-19-41(37-17-15-14-16-36(37)38)69-35-20-21-52-44(32-35)54-34-30-42(63-10)45(43(31-34)64-11)47(58)53-22-23-66-24-25-67-26-27-68-72(60,70-50(4,5)6)71-51(7,8)9/h14-21,28-32,57H,22-27H2,1-13H3,(H,52,54)(H,53,58)(H2,55,56,59).

What are the key properties of ditert-butyl 2-[2-[2-[[4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2,6-dimethoxybenzoyl]amino]ethoxy]ethoxy]ethyl phosphate?

ditert-butyl 2-[2-[2-[[4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2,6-dimethoxybenzoyl]amino]ethoxy]ethoxy]ethyl phosphate has a molecular weight of 1053.18 g/mol, XLogP of 10.63, 24 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for ditert-butyl 2-[2-[2-[[4-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-2,6-dimethoxybenzoyl]amino]ethoxy]ethoxy]ethyl phosphate is sourced from PubChem (CID 153326092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).