2-[5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]oxyethyl 2-(2-nitrooxyethoxy)ethyl carbonate

C32H34N10O12S — CID 25094203

About 2-[5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]oxyethyl 2-(2-nitrooxyethoxy)ethyl carbonate

2-[5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]oxyethyl 2-(2-nitrooxyethoxy)ethyl carbonate (PubChem CID 25094203) has the molecular formula C32H34N10O12S and a molecular weight of 782.75 g/mol. Its IUPAC name is 2-[5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]oxyethyl 2-(2-nitrooxyethoxy)ethyl carbonate.

Molecular Properties

• Compound Name: 2-[5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]oxyethyl 2-(2-nitrooxyethoxy)ethyl carbonate
• PubChem CID: 25094203
• Molecular Formula: C32H34N10O12S
• Molecular Weight: 782.75 g/mol
• Exact Mass: 782.21
• IUPAC Name: 2-[5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]oxyethyl 2-(2-nitrooxyethoxy)ethyl carbonate
• SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(-c3nn[nH]n3)c2)nc1OCCOC(=O)OCCOCCO[N+](=O)[O-]
• InChI: InChI=1S/C32H34N10O12S/c1-20(2)22-8-9-26(34-19-22)55(46,47)39-30-27(54-25-7-5-4-6-24(25)48-3)31(50-15-16-52-32(43)51-14-12-49-13-17-53-42(44)45)36-28(35-30)21-10-11-33-23(18-21)29-37-40-41-38-29/h4-11,18-20H,12-17H2,1-3H3,(H,35,36,39)(H,37,38,40,41)
• InChIKey: AKLDJDLOGQWFIZ-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 277.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.75
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]oxyethyl 2-(2-nitrooxyethoxy)ethyl carbonate?

The IUPAC name of 2-[5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]oxyethyl 2-(2-nitrooxyethoxy)ethyl carbonate (CID 25094203) is 2-[5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]oxyethyl 2-(2-nitrooxyethoxy)ethyl carbonate.

What is the SMILES notation for 2-[5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]oxyethyl 2-(2-nitrooxyethoxy)ethyl carbonate?

The canonical SMILES for 2-[5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]oxyethyl 2-(2-nitrooxyethoxy)ethyl carbonate is COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(-c3nn[nH]n3)c2)nc1OCCOC(=O)OCCOCCO[N+](=O)[O-].

What is the InChIKey of 2-[5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]oxyethyl 2-(2-nitrooxyethoxy)ethyl carbonate?

The InChIKey is AKLDJDLOGQWFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N10O12S/c1-20(2)22-8-9-26(34-19-22)55(46,47)39-30-27(54-25-7-5-4-6-24(25)48-3)31(50-15-16-52-32(43)51-14-12-49-13-17-53-42(44)45)36-28(35-30)21-10-11-33-23(18-21)29-37-40-41-38-29/h4-11,18-20H,12-17H2,1-3H3,(H,35,36,39)(H,37,38,40,41).

What are the key properties of 2-[5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]oxyethyl 2-(2-nitrooxyethoxy)ethyl carbonate?

2-[5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]oxyethyl 2-(2-nitrooxyethoxy)ethyl carbonate has a molecular weight of 782.75 g/mol, XLogP of 3.60, 20 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(2-methoxyphenoxy)-6-[(5-propan-2-yl-2-pyridinyl)sulfonylamino]-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]oxyethyl 2-(2-nitrooxyethoxy)ethyl carbonate is sourced from PubChem (CID 25094203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).