N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]acetamide

C26H27ClN2O4S — CID 28555324

About N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]acetamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]acetamide (PubChem CID 28555324) has the molecular formula C26H27ClN2O4S and a molecular weight of 499.03 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]acetamide
• PubChem CID: 28555324
• Molecular Formula: C26H27ClN2O4S
• Molecular Weight: 499.03 g/mol
• Exact Mass: 498.14
• IUPAC Name: N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]acetamide
• SMILES: Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1
• InChI: InChI=1S/C26H27ClN2O4S/c1-18-16-23(34(31,32)29-15-5-7-21-6-3-4-8-24(21)29)13-14-25(18)33-17-26(30)28-19(2)20-9-11-22(27)12-10-20/h3-4,6,8-14,16,19H,5,7,15,17H2,1-2H3,(H,28,30)/t19-/m1/s1
• InChIKey: JWOURZGNNHNRPL-LJQANCHMSA-N
• XLogP: 5.05
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.03
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]acetamide?

The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]acetamide (CID 28555324) is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]acetamide.

What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]acetamide?

The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]acetamide is Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1.

What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]acetamide?

The InChIKey is JWOURZGNNHNRPL-LJQANCHMSA-N. The full InChI is InChI=1S/C26H27ClN2O4S/c1-18-16-23(34(31,32)29-15-5-7-21-6-3-4-8-24(21)29)13-14-25(18)33-17-26(30)28-19(2)20-9-11-22(27)12-10-20/h3-4,6,8-14,16,19H,5,7,15,17H2,1-2H3,(H,28,30)/t19-/m1/s1.

What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]acetamide?

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]acetamide has a molecular weight of 499.03 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]acetamide is sourced from PubChem (CID 28555324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).