N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide

C16H26N2O3S — CID 113153840

IUPACN-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-6-7-10-17(4)16(19)12-18(22(5,20)21)15-9-8-13(2)11-14(15)3/h8-9,11H,6-7,10,12H2,1-5H3
InChIKeyNGPKEJMPENYUFN-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.33
Rot. Bonds7

About N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide

N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide (PubChem CID 113153840) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide
PubChem CID113153840
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-6-7-10-17(4)16(19)12-18(22(5,20)21)15-9-8-13(2)11-14(15)3/h8-9,11H,6-7,10,12H2,1-5H3
InChIKeyNGPKEJMPENYUFN-UHFFFAOYSA-N
XLogP2.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide
CID 113154697
N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154880
N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154582
3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide
CID 113124190
N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 113144330
N-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 17201138
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113142058
N-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150779
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068765
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 92676378
N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43891593
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 2271321

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide?
The IUPAC name of N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide (CID 113153840) is N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide.
What is the SMILES notation for N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide?
The canonical SMILES for N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide is CCCCN(C)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O.
What is the InChIKey of N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide?
The InChIKey is NGPKEJMPENYUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-6-7-10-17(4)16(19)12-18(22(5,20)21)15-9-8-13(2)11-14(15)3/h8-9,11H,6-7,10,12H2,1-5H3.
What are the key properties of N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide?
N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide has a molecular weight of 326.46 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 113153840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).