N-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide

C19H24N2O4S — CID 112992445

IUPACN-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-14-10-17(25-4)18(11-15(14)2)26(23,24)20-12-19(22)21(3)13-16-8-6-5-7-9-16/h5-11,20H,12-13H2,1-4H3
InChIKeyAVPCXPGGVWKJHL-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.25
Rot. Bonds7

About N-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide

N-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide (PubChem CID 112992445) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide
PubChem CID112992445
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-14-10-17(25-4)18(11-15(14)2)26(23,24)20-12-19(22)21(3)13-16-8-6-5-7-9-16/h5-11,20H,12-13H2,1-4H3
InChIKeyAVPCXPGGVWKJHL-UHFFFAOYSA-N
XLogP2.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 112992433
N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992432
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 112996322
2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 112996215
N-benzyl-N-methyl-2-(2-methylanilino)acetamide
CID 39367191
N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 112760070
N-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide
CID 109020525
N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 112760071
N-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 3504330
N-(3,4-difluorophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide
CID 113002363
N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide
CID 108997410
N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide
CID 22300743

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide (CID 112992445) is N-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide is COc1cc(C)c(C)cc1S(=O)(=O)NCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is AVPCXPGGVWKJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14-10-17(25-4)18(11-15(14)2)26(23,24)20-12-19(22)21(3)13-16-8-6-5-7-9-16/h5-11,20H,12-13H2,1-4H3.
What are the key properties of N-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide?
N-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 376.48 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 112992445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).