N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide

C24H26N2O5S — CID 28553030

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCOc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-17-4-8-20(9-5-17)26-32(28,29)23-14-12-22(13-15-23)31-16-24(27)25-18(2)19-6-10-21(30-3)11-7-19/h4-15,18,26H,16H2,1-3H3,(H,25,27)/t18-/m0/s1
InChIKeyQUTSGYKLCFNMAT-SFHVURJKSA-N
MW454.55 g/mol
LogP4.06
Rot. Bonds9

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 28553030) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID28553030
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCOc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-17-4-8-20(9-5-17)26-32(28,29)23-14-12-22(13-15-23)31-16-24(27)25-18(2)19-6-10-21(30-3)11-7-19/h4-15,18,26H,16H2,1-3H3,(H,25,27)/t18-/m0/s1
InChIKeyQUTSGYKLCFNMAT-SFHVURJKSA-N
XLogP4.06
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43906348
2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28553480
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28554168
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28554170
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92681084
N-butan-2-yl-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4650305
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124551632
2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401893
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43873363
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552297
N-[1-(4-methoxyphenyl)ethyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 43873615
2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 41032284

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide (CID 28553030) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide is COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is QUTSGYKLCFNMAT-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-17-4-8-20(9-5-17)26-32(28,29)23-14-12-22(13-15-23)31-16-24(27)25-18(2)19-6-10-21(30-3)11-7-19/h4-15,18,26H,16H2,1-3H3,(H,25,27)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 454.55 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 28553030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).