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

C27H32N2O4S — CID 30401837

IUPAC2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1C
InChIInChI=1S/C27H32N2O4S/c1-19-15-21(3)26(16-20(19)2)22(4)28-27(30)18-33-24-11-13-25(14-12-24)34(31,32)29(5)17-23-9-7-6-8-10-23/h6-16,22H,17-18H2,1-5H3,(H,28,30)/t22-/m0/s1
InChIKeySFGWQMKEOOPOGC-QFIPXVFZSA-N
MW480.63 g/mol
LogP4.69
Rot. Bonds9

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

2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 30401837) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
PubChem CID30401837
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC Name2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1C
InChIInChI=1S/C27H32N2O4S/c1-19-15-21(3)26(16-20(19)2)22(4)28-27(30)18-33-24-11-13-25(14-12-24)34(31,32)29(5)17-23-9-7-6-8-10-23/h6-16,22H,17-18H2,1-5H3,(H,28,30)/t22-/m0/s1
InChIKeySFGWQMKEOOPOGC-QFIPXVFZSA-N
XLogP4.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[4-(diethylsulfamoyl)phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402019
2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402629
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-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906315
2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873509
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401362
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 3921360
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126315410
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 125084920

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 30401837) is 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide is Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1C.
What is the InChIKey of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The InChIKey is SFGWQMKEOOPOGC-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-19-15-21(3)26(16-20(19)2)22(4)28-27(30)18-33-24-11-13-25(14-12-24)34(31,32)29(5)17-23-9-7-6-8-10-23/h6-16,22H,17-18H2,1-5H3,(H,28,30)/t22-/m0/s1.
What are the key properties of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 480.63 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 30401837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).