N-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide

C16H26N2O3S — CID 113051922

IUPACN-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCCCN(CCNS(=O)(=O)c1c(C)cc(C)cc1C)C(C)=O
InChIInChI=1S/C16H26N2O3S/c1-6-8-18(15(5)19)9-7-17-22(20,21)16-13(3)10-12(2)11-14(16)4/h10-11,17H,6-9H2,1-5H3
InChIKeyWXNDGAFCXXAARZ-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.15
Rot. Bonds7

About N-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide

N-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113051922) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113051922
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCCCN(CCNS(=O)(=O)c1c(C)cc(C)cc1C)C(C)=O
InChIInChI=1S/C16H26N2O3S/c1-6-8-18(15(5)19)9-7-17-22(20,21)16-13(3)10-12(2)11-14(16)4/h10-11,17H,6-9H2,1-5H3
InChIKeyWXNDGAFCXXAARZ-UHFFFAOYSA-N
XLogP2.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113056893
2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064916
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide
CID 113051954
3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid
CID 120516640
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 113065655
N-(3-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113062684
2,4,6-trimethyl-N-[3-[(2,4,6-trimethylphenyl)sulfonyl-[3-[(2,4,6-trimethylphenyl)sulfonyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propyl]amino]propyl]amino]propyl]benzenesulfonamide
CID 10056638
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-N-(2-methoxyethyl)acetamide
CID 113053219
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-propylacetamide
CID 113051933
N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen
CID 142348370
2-[acetyl(propyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113158011
(2S)-2-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid
CID 104933998

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide (CID 113051922) is N-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide is CCCN(CCNS(=O)(=O)c1c(C)cc(C)cc1C)C(C)=O.
What is the InChIKey of N-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is WXNDGAFCXXAARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-6-8-18(15(5)19)9-7-17-22(20,21)16-13(3)10-12(2)11-14(16)4/h10-11,17H,6-9H2,1-5H3.
What are the key properties of N-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide?
N-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 326.46 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113051922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).