2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide

C27H32N2O4S — CID 43906343

IUPAC2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NC(C)c3cc(C)c(C)cc3C)cc2)c1
InChIInChI=1S/C27H32N2O4S/c1-17-7-8-18(2)26(13-17)29-34(31,32)24-11-9-23(10-12-24)33-16-27(30)28-22(6)25-15-20(4)19(3)14-21(25)5/h7-15,22,29H,16H2,1-6H3,(H,28,30)
InChIKeyHFTHRONCXBSIJU-UHFFFAOYSA-N
MW480.63 g/mol
LogP5.29
Rot. Bonds8

About 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide

2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 43906343) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
PubChem CID43906343
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC Name2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NC(C)c3cc(C)c(C)cc3C)cc2)c1
InChIInChI=1S/C27H32N2O4S/c1-17-7-8-18(2)26(13-17)29-34(31,32)24-11-9-23(10-12-24)33-16-27(30)28-22(6)25-15-20(4)19(3)14-21(25)5/h7-15,22,29H,16H2,1-6H3,(H,28,30)
InChIKeyHFTHRONCXBSIJU-UHFFFAOYSA-N
XLogP5.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.63
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28553351
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(1-phenylethyl)acetamide
CID 4580368
2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906315
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401927
N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 43873317
2-[4-(diethylsulfamoyl)phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402019
2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906383
2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401789
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 32564607
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 3325652

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 43906343) is 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NC(C)c3cc(C)c(C)cc3C)cc2)c1.
What is the InChIKey of 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The InChIKey is HFTHRONCXBSIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-17-7-8-18(2)26(13-17)29-34(31,32)24-11-9-23(10-12-24)33-16-27(30)28-22(6)25-15-20(4)19(3)14-21(25)5/h7-15,22,29H,16H2,1-6H3,(H,28,30).
What are the key properties of 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 480.63 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 43906343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).