N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide

C16H28N2O4S2 — CID 113065655

IUPACN-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCCC(C)N(CCNS(=O)(=O)c1c(C)cc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C16H28N2O4S2/c1-7-15(5)18(23(6,19)20)9-8-17-24(21,22)16-13(3)10-12(2)11-14(16)4/h10-11,15,17H,7-9H2,1-6H3
InChIKeySBRPJDMGLCJBNY-UHFFFAOYSA-N
MW376.54 g/mol
LogP1.95
Rot. Bonds8

About N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide

N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 113065655) has the molecular formula C16H28N2O4S2 and a molecular weight of 376.54 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID113065655
Molecular FormulaC16H28N2O4S2
Molecular Weight376.54 g/mol
Exact Mass376.15
IUPAC NameN-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCCC(C)N(CCNS(=O)(=O)c1c(C)cc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C16H28N2O4S2/c1-7-15(5)18(23(6,19)20)9-8-17-24(21,22)16-13(3)10-12(2)11-14(16)4/h10-11,15,17H,7-9H2,1-6H3
InChIKeySBRPJDMGLCJBNY-UHFFFAOYSA-N
XLogP1.95
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 113065645
2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064916
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
CID 113065646
N-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113051922
N-(3-methylbutyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113056893
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 113065648
N-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985
N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen
CID 142348370
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-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide
CID 8778480
N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide
CID 103835154

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide (CID 113065655) is N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide is CCC(C)N(CCNS(=O)(=O)c1c(C)cc(C)cc1C)S(C)(=O)=O.
What is the InChIKey of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is SBRPJDMGLCJBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4S2/c1-7-15(5)18(23(6,19)20)9-8-17-24(21,22)16-13(3)10-12(2)11-14(16)4/h10-11,15,17H,7-9H2,1-6H3.
What are the key properties of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide?
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 376.54 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 113065655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).