N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

C17H28N2O3S — CID 30269796

IUPACN-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCCCCCNC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-6-7-8-9-18-16(20)12-19(23(5,21)22)17-14(3)10-13(2)11-15(17)4/h10-11H,6-9,12H2,1-5H3,(H,18,20)
InChIKeySOGXEUGIYSJXFN-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.68
Rot. Bonds8

About N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 30269796) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
PubChem CID30269796
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCCCCCNC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-6-7-8-9-18-16(20)12-19(23(5,21)22)17-14(3)10-13(2)11-15(17)4/h10-11H,6-9,12H2,1-5H3,(H,18,20)
InChIKeySOGXEUGIYSJXFN-UHFFFAOYSA-N
XLogP2.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.68
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

2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide
CID 113154007
N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30278155
2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide
CID 113156608
N-[(4-methylphenyl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30263870
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113142058
N-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 125072566
N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143138
butyl 4-[[2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 30276378
2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide
CID 113157009
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30223677
N,N-dimethyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30256486
3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide
CID 113126035

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (CID 30269796) is N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is CCCCCNC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O.
What is the InChIKey of N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is SOGXEUGIYSJXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-6-7-8-9-18-16(20)12-19(23(5,21)22)17-14(3)10-13(2)11-15(17)4/h10-11H,6-9,12H2,1-5H3,(H,18,20).
What are the key properties of N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 340.49 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30269796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).