N-(2,6-diethylphenyl)-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C27H32N2O3S — CID 126140617

IUPACN-(2,6-diethylphenyl)-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H32N2O3S/c1-6-22-9-8-10-23(7-2)27(22)28-26(30)18-29(24-16-20(4)15-21(5)17-24)33(31,32)25-13-11-19(3)12-14-25/h8-17H,6-7,18H2,1-5H3,(H,28,30)
InChIKeyNUYRKVSXOPWTPL-UHFFFAOYSA-N
MW464.63 g/mol
LogP5.57
Rot. Bonds8

About N-(2,6-diethylphenyl)-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(2,6-diethylphenyl)-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 126140617) has the molecular formula C27H32N2O3S and a molecular weight of 464.63 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID126140617
Molecular FormulaC27H32N2O3S
Molecular Weight464.63 g/mol
Exact Mass464.21
IUPAC NameN-(2,6-diethylphenyl)-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H32N2O3S/c1-6-22-9-8-10-23(7-2)27(22)28-26(30)18-29(24-16-20(4)15-21(5)17-24)33(31,32)25-13-11-19(3)12-14-25/h8-17H,6-7,18H2,1-5H3,(H,28,30)
InChIKeyNUYRKVSXOPWTPL-UHFFFAOYSA-N
XLogP5.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.63
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126124965
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 126116872
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 51345362
N-(2-ethyl-6-methylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 126143039
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 126148873
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51345359
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,6-diethylphenyl)acetamide
CID 26565897
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126324001
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 21372133
N-(2,6-diethylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1006564
N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 4615229
N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153846

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 126140617) is N-(2,6-diethylphenyl)-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is CCc1cccc(CC)c1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is NUYRKVSXOPWTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3S/c1-6-22-9-8-10-23(7-2)27(22)28-26(30)18-29(24-16-20(4)15-21(5)17-24)33(31,32)25-13-11-19(3)12-14-25/h8-17H,6-7,18H2,1-5H3,(H,28,30).
What are the key properties of N-(2,6-diethylphenyl)-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(2,6-diethylphenyl)-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 464.63 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126140617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).