N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide

C16H26N2O3S — CID 113154116

IUPACN-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(c1ccccc1CC)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-5-7-12-17(3)16(19)13-18(22(4,20)21)15-11-9-8-10-14(15)6-2/h8-11H,5-7,12-13H2,1-4H3
InChIKeyDCLQTHLCBRSQBD-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.27
Rot. Bonds8

About N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide

N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide (PubChem CID 113154116) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide
PubChem CID113154116
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(c1ccccc1CC)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-5-7-12-17(3)16(19)13-18(22(4,20)21)15-11-9-8-10-14(15)6-2/h8-11H,5-7,12-13H2,1-4H3
InChIKeyDCLQTHLCBRSQBD-UHFFFAOYSA-N
XLogP2.27
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.27
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-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154582
N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154880
N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113153840
N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 27255894
N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143446
[2-[butyl(methylsulfonyl)amino]phenyl]methylcarbamic acid
CID 175305554
N-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 113154114
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113069155
methyl 4-[[2-[butyl(methyl)amino]-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156042
2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide
CID 113069165
(2R)-N-butyl-2-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100560411

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide?
The IUPAC name of N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide (CID 113154116) is N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide.
What is the SMILES notation for N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide?
The canonical SMILES for N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide is CCCCN(C)C(=O)CN(c1ccccc1CC)S(C)(=O)=O.
What is the InChIKey of N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide?
The InChIKey is DCLQTHLCBRSQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-5-7-12-17(3)16(19)13-18(22(4,20)21)15-11-9-8-10-14(15)6-2/h8-11H,5-7,12-13H2,1-4H3.
What are the key properties of N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide?
N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide has a molecular weight of 326.46 g/mol, XLogP of 2.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 113154116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).