N-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide

C16H27N3O3S — CID 53282051

IUPACN-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
SMILESCCCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C
InChIInChI=1S/C16H27N3O3S/c1-6-7-10-17-16(20)12-19(23(21,22)18(4)5)15-11-13(2)8-9-14(15)3/h8-9,11H,6-7,10,12H2,1-5H3,(H,17,20)
InChIKeyZGJCKZKCPSIRKS-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.83
Rot. Bonds8

About N-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide

N-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide (PubChem CID 53282051) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
PubChem CID53282051
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
SMILESCCCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C
InChIInChI=1S/C16H27N3O3S/c1-6-7-10-17-16(20)12-19(23(21,22)18(4)5)15-11-13(2)8-9-14(15)3/h8-9,11H,6-7,10,12H2,1-5H3,(H,17,20)
InChIKeyZGJCKZKCPSIRKS-UHFFFAOYSA-N
XLogP1.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-tert-butylsulfanylethyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53282024
N-butyl-2-[[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132733726
N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281939
2-[benzyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-butylbutanamide
CID 132730045
N-butyl-2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]butanamide
CID 132747106
N-butyl-2-[(2-chlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]propanamide
CID 132735363
N-cyclohexyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281968
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 92663694
N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 132665488
N-(2,4-difluorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53282036
N-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 92663910
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30390844

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
The IUPAC name of N-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide (CID 53282051) is N-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide.
What is the SMILES notation for N-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
The canonical SMILES for N-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide is CCCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C.
What is the InChIKey of N-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
The InChIKey is ZGJCKZKCPSIRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-6-7-10-17-16(20)12-19(23(21,22)18(4)5)15-11-13(2)8-9-14(15)3/h8-9,11H,6-7,10,12H2,1-5H3,(H,17,20).
What are the key properties of N-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
N-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide has a molecular weight of 341.48 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide is sourced from PubChem (CID 53282051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).