2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide

C28H32N2O4S — CID 30401935

IUPAC2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1C
InChIInChI=1S/C28H32N2O4S/c1-19-16-21(3)26(17-20(19)2)22(4)29-28(31)18-34-24-11-13-25(14-12-24)35(32,33)30-15-7-9-23-8-5-6-10-27(23)30/h5-6,8,10-14,16-17,22H,7,9,15,18H2,1-4H3,(H,29,31)/t22-/m0/s1
InChIKeyFIYTYNVWDLNNOD-QFIPXVFZSA-N
MW492.64 g/mol
LogP5.01
Rot. Bonds7

About 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide

2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 30401935) has the molecular formula C28H32N2O4S and a molecular weight of 492.64 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
PubChem CID30401935
Molecular FormulaC28H32N2O4S
Molecular Weight492.64 g/mol
Exact Mass492.21
IUPAC Name2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1C
InChIInChI=1S/C28H32N2O4S/c1-19-16-21(3)26(17-20(19)2)22(4)29-28(31)18-34-24-11-13-25(14-12-24)35(32,33)30-15-7-9-23-8-5-6-10-27(23)30/h5-6,8,10-14,16-17,22H,7,9,15,18H2,1-4H3,(H,29,31)/t22-/m0/s1
InChIKeyFIYTYNVWDLNNOD-QFIPXVFZSA-N
XLogP5.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.64
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide with MolForge

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Related Compounds

2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873374
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28553756
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(3,5-dimethylphenyl)acetamide
CID 126397249
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126396736
N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
CID 126396063
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873588
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401871
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906341
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]acetamide
CID 28555324
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28553982
2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906315
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(4-iodophenyl)acetamide
CID 126392373

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 30401935) is 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide is Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1C.
What is the InChIKey of 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The InChIKey is FIYTYNVWDLNNOD-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H32N2O4S/c1-19-16-21(3)26(17-20(19)2)22(4)29-28(31)18-34-24-11-13-25(14-12-24)35(32,33)30-15-7-9-23-8-5-6-10-27(23)30/h5-6,8,10-14,16-17,22H,7,9,15,18H2,1-4H3,(H,29,31)/t22-/m0/s1.
What are the key properties of 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 492.64 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 30401935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).