2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)-N-[5-[4-(2H-tetrazol-5-yl)phenoxy]-1,3-thiazol-2-yl]acetamide

C26H26N6O6S2 — CID 59610062

About 2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)-N-[5-[4-(2H-tetrazol-5-yl)phenoxy]-1,3-thiazol-2-yl]acetamide

2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)-N-[5-[4-(2H-tetrazol-5-yl)phenoxy]-1,3-thiazol-2-yl]acetamide (PubChem CID 59610062) has the molecular formula C26H26N6O6S2 and a molecular weight of 582.66 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)-N-[5-[4-(2H-tetrazol-5-yl)phenoxy]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)-N-[5-[4-(2H-tetrazol-5-yl)phenoxy]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 59610062
• Molecular Formula: C26H26N6O6S2
• Molecular Weight: 582.66 g/mol
• Exact Mass: 582.14
• IUPAC Name: 2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)-N-[5-[4-(2H-tetrazol-5-yl)phenoxy]-1,3-thiazol-2-yl]acetamide
• SMILES: O=C(Nc1ncc(Oc2ccc(-c3nn[nH]n3)cc2)s1)C(OC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1
• InChI: InChI=1S/C26H26N6O6S2/c33-25(28-26-27-15-22(39-26)37-18-5-1-17(2-6-18)24-29-31-32-30-24)23(38-19-11-13-36-14-12-19)16-3-7-20(8-4-16)40(34,35)21-9-10-21/h1-8,15,19,21,23H,9-14H2,(H,27,28,33)(H,29,30,31,32)
• InChIKey: RWUMSWMJUZBIJF-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 158.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.66
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)-N-[5-[4-(2H-tetrazol-5-yl)phenoxy]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)-N-[5-[4-(2H-tetrazol-5-yl)phenoxy]-1,3-thiazol-2-yl]acetamide (CID 59610062) is 2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)-N-[5-[4-(2H-tetrazol-5-yl)phenoxy]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)-N-[5-[4-(2H-tetrazol-5-yl)phenoxy]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)-N-[5-[4-(2H-tetrazol-5-yl)phenoxy]-1,3-thiazol-2-yl]acetamide is O=C(Nc1ncc(Oc2ccc(-c3nn[nH]n3)cc2)s1)C(OC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1.

What is the InChIKey of 2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)-N-[5-[4-(2H-tetrazol-5-yl)phenoxy]-1,3-thiazol-2-yl]acetamide?

The InChIKey is RWUMSWMJUZBIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O6S2/c33-25(28-26-27-15-22(39-26)37-18-5-1-17(2-6-18)24-29-31-32-30-24)23(38-19-11-13-36-14-12-19)16-3-7-20(8-4-16)40(34,35)21-9-10-21/h1-8,15,19,21,23H,9-14H2,(H,27,28,33)(H,29,30,31,32).

What are the key properties of 2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)-N-[5-[4-(2H-tetrazol-5-yl)phenoxy]-1,3-thiazol-2-yl]acetamide?

2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)-N-[5-[4-(2H-tetrazol-5-yl)phenoxy]-1,3-thiazol-2-yl]acetamide has a molecular weight of 582.66 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)-N-[5-[4-(2H-tetrazol-5-yl)phenoxy]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 59610062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).