N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C22H32N4O6S — CID 54635630

About N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 54635630) has the molecular formula C22H32N4O6S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

• Compound Name: N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
• PubChem CID: 54635630
• Molecular Formula: C22H32N4O6S
• Molecular Weight: 480.59 g/mol
• Exact Mass: 480.20
• IUPAC Name: N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
• SMILES: CO[C@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2OC[C@@H](C)NC[C@H]1C
• InChI: InChI=1S/C22H32N4O6S/c1-13-10-23-14(2)12-31-19-9-17(25-33(28,29)21-15(3)24-32-16(21)4)7-8-18(19)22(27)26(5)11-20(13)30-6/h7-9,13-14,20,23,25H,10-12H2,1-6H3/t13-,14-,20+/m1/s1
• InChIKey: OWIXLQRSRQDZTH-JZKQVHKSSA-N
• XLogP: 2.19
• TPSA: 123.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.59
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?

The IUPAC name of N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 54635630) is N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

What is the SMILES notation for N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?

The canonical SMILES for N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CO[C@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2OC[C@@H](C)NC[C@H]1C.

What is the InChIKey of N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?

The InChIKey is OWIXLQRSRQDZTH-JZKQVHKSSA-N. The full InChI is InChI=1S/C22H32N4O6S/c1-13-10-23-14(2)12-31-19-9-17(25-33(28,29)21-15(3)24-32-16(21)4)7-8-18(19)22(27)26(5)11-20(13)30-6/h7-9,13-14,20,23,25H,10-12H2,1-6H3/t13-,14-,20+/m1/s1.

What are the key properties of N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?

N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 480.59 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 54635630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).