(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C21H24F2N2O4S — CID 100770363

About (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 100770363) has the molecular formula C21H24F2N2O4S and a molecular weight of 438.50 g/mol. Its IUPAC name is (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
• PubChem CID: 100770363
• Molecular Formula: C21H24F2N2O4S
• Molecular Weight: 438.50 g/mol
• Exact Mass: 438.14
• IUPAC Name: (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
• SMILES: COc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O
• InChI: InChI=1S/C21H24F2N2O4S/c1-13(25(30(3,27)28)15-7-10-18(22)19(23)12-15)21(26)24-20-6-4-5-14-11-16(29-2)8-9-17(14)20/h7-13,20H,4-6H2,1-3H3,(H,24,26)/t13-,20-/m1/s1
• InChIKey: RWBAOQLKDRJHQX-ZUOKHONESA-N
• XLogP: 3.32
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.50
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

The IUPAC name of (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 100770363) is (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

What is the SMILES notation for (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

The canonical SMILES for (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is COc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O.

What is the InChIKey of (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

The InChIKey is RWBAOQLKDRJHQX-ZUOKHONESA-N. The full InChI is InChI=1S/C21H24F2N2O4S/c1-13(25(30(3,27)28)15-7-10-18(22)19(23)12-15)21(26)24-20-6-4-5-14-11-16(29-2)8-9-17(14)20/h7-13,20H,4-6H2,1-3H3,(H,24,26)/t13-,20-/m1/s1.

What are the key properties of (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 438.50 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 100770363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).