N-benzyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-methylacetamide

C20H27N3O3S — CID 92663790

IUPACN-benzyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-methylacetamide
SMILESCc1ccc(C)c(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H27N3O3S/c1-16-11-12-17(2)19(13-16)23(27(25,26)21(3)4)15-20(24)22(5)14-18-9-7-6-8-10-18/h6-13H,14-15H2,1-5H3
InChIKeyQPHOUNVEYSJJIV-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.57
Rot. Bonds7

About N-benzyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-methylacetamide

N-benzyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-methylacetamide (PubChem CID 92663790) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-benzyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-methylacetamide
PubChem CID92663790
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-benzyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-methylacetamide
SMILESCc1ccc(C)c(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H27N3O3S/c1-16-11-12-17(2)19(13-16)23(27(25,26)21(3)4)15-20(24)22(5)14-18-9-7-6-8-10-18/h6-13H,14-15H2,1-5H3
InChIKeyQPHOUNVEYSJJIV-UHFFFAOYSA-N
XLogP2.57
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 46771152
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 92676378
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-benzyl-N-methylacetamide
CID 30169202
(2S)-2-[benzyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-[(2S)-butan-2-yl]butanamide
CID 125077047
2-[benzyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-butylbutanamide
CID 132730045
(2R)-2-[[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 125069036
1-(4-benzylpiperazin-1-yl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]ethanone
CID 99946476
(2S)-2-[[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]-[(3-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 100680360
N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172216
(2R)-2-[[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 125054548
2-[[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide
CID 132730038
2-[[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide
CID 132680294

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-methylacetamide (CID 92663790) is N-benzyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-methylacetamide is Cc1ccc(C)c(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-benzyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-methylacetamide?
The InChIKey is QPHOUNVEYSJJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-16-11-12-17(2)19(13-16)23(27(25,26)21(3)4)15-20(24)22(5)14-18-9-7-6-8-10-18/h6-13H,14-15H2,1-5H3.
What are the key properties of N-benzyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-methylacetamide?
N-benzyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-methylacetamide has a molecular weight of 389.52 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-methylacetamide is sourced from PubChem (CID 92663790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).