2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide

C25H28N2O4S — CID 41032281

IUPAC2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-19-17-23(32(29,30)27-22-11-7-4-8-12-22)15-16-24(19)31-18-25(28)26-20(2)13-14-21-9-5-3-6-10-21/h3-12,15-17,20,27H,13-14,18H2,1-2H3,(H,26,28)/t20-/m1/s1
InChIKeyLJQGVNSKQRFTBU-HXUWFJFHSA-N
MW452.58 g/mol
LogP4.31
Rot. Bonds10

About 2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 41032281) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID41032281
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-19-17-23(32(29,30)27-22-11-7-4-8-12-22)15-16-24(19)31-18-25(28)26-20(2)13-14-21-9-5-3-6-10-21/h3-12,15-17,20,27H,13-14,18H2,1-2H3,(H,26,28)/t20-/m1/s1
InChIKeyLJQGVNSKQRFTBU-HXUWFJFHSA-N
XLogP4.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide
CID 126392144
N-[1-(4-methoxyphenyl)ethyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 43873615
2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28555536
N-[(4-fluorophenyl)methyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 28555542
2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 41032284
4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 55639102
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126395923
(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 30144142
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28555736
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402102
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 42967832
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 28554860

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 41032281) is 2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide is Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N[C@H](C)CCc1ccccc1.
What is the InChIKey of 2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is LJQGVNSKQRFTBU-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-19-17-23(32(29,30)27-22-11-7-4-8-12-22)15-16-24(19)31-18-25(28)26-20(2)13-14-21-9-5-3-6-10-21/h3-12,15-17,20,27H,13-14,18H2,1-2H3,(H,26,28)/t20-/m1/s1.
What are the key properties of 2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.31, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 41032281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).