2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide

C24H34N2O3S — CID 126371750

IUPAC2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C24H34N2O3S/c1-7-8-21(6)25-23(27)16-26(15-22-11-9-17(2)10-12-22)30(28,29)24-19(4)13-18(3)14-20(24)5/h9-14,21H,7-8,15-16H2,1-6H3,(H,25,27)/t21-/m1/s1
InChIKeyFDCJKZPMLYMPBX-OAQYLSRUSA-N
MW430.61 g/mol
LogP4.42
Rot. Bonds9

About 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide

2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide (PubChem CID 126371750) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
PubChem CID126371750
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC Name2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C24H34N2O3S/c1-7-8-21(6)25-23(27)16-26(15-22-11-9-17(2)10-12-22)30(28,29)24-19(4)13-18(3)14-20(24)5/h9-14,21H,7-8,15-16H2,1-6H3,(H,25,27)/t21-/m1/s1
InChIKeyFDCJKZPMLYMPBX-OAQYLSRUSA-N
XLogP4.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.61
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 126395375
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 100599359
2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906224
N-(3-methylbutyl)-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371796
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 28546352
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 126393561
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide
CID 3584620
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 100781619
N-(2,3-dimethylphenyl)-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371925
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 2292687
N-[(4-methylphenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 4211690
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 4113243

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide?
The IUPAC name of 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide (CID 126371750) is 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide is CCC[C@@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide?
The InChIKey is FDCJKZPMLYMPBX-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H34N2O3S/c1-7-8-21(6)25-23(27)16-26(15-22-11-9-17(2)10-12-22)30(28,29)24-19(4)13-18(3)14-20(24)5/h9-14,21H,7-8,15-16H2,1-6H3,(H,25,27)/t21-/m1/s1.
What are the key properties of 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide?
2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide has a molecular weight of 430.61 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide is sourced from PubChem (CID 126371750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).