2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide

C16H26N2O3S — CID 113154007

IUPAC2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-5-6-7-11-17-15(19)12-18(22(4,20)21)16-13(2)9-8-10-14(16)3/h8-10H,5-7,11-12H2,1-4H3,(H,17,19)
InChIKeyJSAQVRNPRPWTJX-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.38
Rot. Bonds8

About 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide

2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide (PubChem CID 113154007) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide
PubChem CID113154007
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-5-6-7-11-17-15(19)12-18(22(4,20)21)16-13(2)9-8-10-14(16)3/h8-10H,5-7,11-12H2,1-4H3,(H,17,19)
InChIKeyJSAQVRNPRPWTJX-UHFFFAOYSA-N
XLogP2.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.38
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-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30269796
2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide
CID 113156608
2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide
CID 113154252
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30223677
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 51342973
N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 126130247
3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113146595
N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 27255894
N-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(2,6-dimethyl-N-methylsulfonylanilino)acetyl]amino]butanamide
CID 132740251
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113154012
N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 113154773
(2R)-2-[(4-bromophenyl)methyl-[2-(2,6-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-butylpropanamide
CID 100575099

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide?
The IUPAC name of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide (CID 113154007) is 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide.
What is the SMILES notation for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide?
The canonical SMILES for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide is CCCCCNC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O.
What is the InChIKey of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide?
The InChIKey is JSAQVRNPRPWTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-5-6-7-11-17-15(19)12-18(22(4,20)21)16-13(2)9-8-10-14(16)3/h8-10H,5-7,11-12H2,1-4H3,(H,17,19).
What are the key properties of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide?
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide has a molecular weight of 326.46 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide is sourced from PubChem (CID 113154007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).