(2R)-4-(benzenesulfonyl)-6-methyl-N-(naphthalen-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C27H24N2O4S — CID 125064583

About (2R)-4-(benzenesulfonyl)-6-methyl-N-(naphthalen-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

(2R)-4-(benzenesulfonyl)-6-methyl-N-(naphthalen-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 125064583) has the molecular formula C27H24N2O4S and a molecular weight of 472.57 g/mol. Its IUPAC name is (2R)-4-(benzenesulfonyl)-6-methyl-N-(naphthalen-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-4-(benzenesulfonyl)-6-methyl-N-(naphthalen-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• PubChem CID: 125064583
• Molecular Formula: C27H24N2O4S
• Molecular Weight: 472.57 g/mol
• Exact Mass: 472.15
• IUPAC Name: (2R)-4-(benzenesulfonyl)-6-methyl-N-(naphthalen-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• SMILES: Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCc1ccc3ccccc3c1)O2
• InChI: InChI=1S/C27H24N2O4S/c1-19-11-14-25-24(15-19)29(34(31,32)23-9-3-2-4-10-23)18-26(33-25)27(30)28-17-20-12-13-21-7-5-6-8-22(21)16-20/h2-16,26H,17-18H2,1H3,(H,28,30)/t26-/m1/s1
• InChIKey: ZKDWGDLFTLXNCT-AREMUKBSSA-N
• XLogP: 4.42
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.57
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(benzenesulfonyl)-6-methyl-N-(naphthalen-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The IUPAC name of (2R)-4-(benzenesulfonyl)-6-methyl-N-(naphthalen-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 125064583) is (2R)-4-(benzenesulfonyl)-6-methyl-N-(naphthalen-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

What is the SMILES notation for (2R)-4-(benzenesulfonyl)-6-methyl-N-(naphthalen-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The canonical SMILES for (2R)-4-(benzenesulfonyl)-6-methyl-N-(naphthalen-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide is Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCc1ccc3ccccc3c1)O2.

What is the InChIKey of (2R)-4-(benzenesulfonyl)-6-methyl-N-(naphthalen-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The InChIKey is ZKDWGDLFTLXNCT-AREMUKBSSA-N. The full InChI is InChI=1S/C27H24N2O4S/c1-19-11-14-25-24(15-19)29(34(31,32)23-9-3-2-4-10-23)18-26(33-25)27(30)28-17-20-12-13-21-7-5-6-8-22(21)16-20/h2-16,26H,17-18H2,1H3,(H,28,30)/t26-/m1/s1.

What are the key properties of (2R)-4-(benzenesulfonyl)-6-methyl-N-(naphthalen-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

(2R)-4-(benzenesulfonyl)-6-methyl-N-(naphthalen-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-(benzenesulfonyl)-6-methyl-N-(naphthalen-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 125064583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).