2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide

C27H32N2O4S — CID 30402102

IUPAC2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2C)cc1C
InChIInChI=1S/C27H32N2O4S/c1-18-13-20(3)25(15-19(18)2)22(5)29-27(30)17-33-26-12-11-24(14-21(26)4)34(31,32)28-16-23-9-7-6-8-10-23/h6-15,22,28H,16-17H2,1-5H3,(H,29,30)/t22-/m0/s1
InChIKeyBVDVFIXDHHWURL-QFIPXVFZSA-N
MW480.63 g/mol
LogP4.65
Rot. Bonds9

About 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide

2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 30402102) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
PubChem CID30402102
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC Name2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2C)cc1C
InChIInChI=1S/C27H32N2O4S/c1-18-13-20(3)25(15-19(18)2)22(5)29-27(30)17-33-26-12-11-24(14-21(26)4)34(31,32)28-16-23-9-7-6-8-10-23/h6-15,22,28H,16-17H2,1-5H3,(H,29,30)/t22-/m0/s1
InChIKeyBVDVFIXDHHWURL-QFIPXVFZSA-N
XLogP4.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126395923
2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401789
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906385
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873559
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[1-(4-bromophenyl)ethyl]acetamide
CID 43873557
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402094
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide
CID 126392144
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28555152
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide
CID 28555179
2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetic acid
CID 2228874
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 43906454
2-[4-(diethylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402198

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 30402102) is 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide is Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2C)cc1C.
What is the InChIKey of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The InChIKey is BVDVFIXDHHWURL-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-18-13-20(3)25(15-19(18)2)22(5)29-27(30)17-33-26-12-11-24(14-21(26)4)34(31,32)28-16-23-9-7-6-8-10-23/h6-15,22,28H,16-17H2,1-5H3,(H,29,30)/t22-/m0/s1.
What are the key properties of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 480.63 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 30402102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).