N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide

C25H25ClN2O4S — CID 28555210

About N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide (PubChem CID 28555210) has the molecular formula C25H25ClN2O4S and a molecular weight of 485.01 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide
• PubChem CID: 28555210
• Molecular Formula: C25H25ClN2O4S
• Molecular Weight: 485.01 g/mol
• Exact Mass: 484.12
• IUPAC Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide
• SMILES: Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1
• InChI: InChI=1S/C25H25ClN2O4S/c1-17-15-22(33(30,31)28-14-13-20-5-3-4-6-23(20)28)11-12-24(17)32-16-25(29)27-18(2)19-7-9-21(26)10-8-19/h3-12,15,18H,13-14,16H2,1-2H3,(H,27,29)/t18-/m0/s1
• InChIKey: NGKFYNNWKIZVRI-SFHVURJKSA-N
• XLogP: 4.66
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.01
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide?

The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide (CID 28555210) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide.

What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide?

The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide is Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1.

What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide?

The InChIKey is NGKFYNNWKIZVRI-SFHVURJKSA-N. The full InChI is InChI=1S/C25H25ClN2O4S/c1-17-15-22(33(30,31)28-14-13-20-5-3-4-6-23(20)28)11-12-24(17)32-16-25(29)27-18(2)19-7-9-21(26)10-8-19/h3-12,15,18H,13-14,16H2,1-2H3,(H,27,29)/t18-/m0/s1.

What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide?

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide has a molecular weight of 485.01 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide is sourced from PubChem (CID 28555210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).