N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide

C15H26N2O4S2 — CID 113068823

IUPACN-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCN(c1ccc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C15H26N2O4S2/c1-5-6-11-23(20,21)16-9-10-17(22(4,18)19)15-8-7-13(2)12-14(15)3/h7-8,12,16H,5-6,9-11H2,1-4H3
InChIKeyUORPQUPEOFFDCS-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.79
Rot. Bonds9

About N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide

N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide (PubChem CID 113068823) has the molecular formula C15H26N2O4S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
PubChem CID113068823
Molecular FormulaC15H26N2O4S2
Molecular Weight362.52 g/mol
Exact Mass362.13
IUPAC NameN-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCN(c1ccc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C15H26N2O4S2/c1-5-6-11-23(20,21)16-9-10-17(22(4,18)19)15-8-7-13(2)12-14(15)3/h7-8,12,16H,5-6,9-11H2,1-4H3
InChIKeyUORPQUPEOFFDCS-UHFFFAOYSA-N
XLogP1.79
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
CID 113068888
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
CID 113070022
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113142058
N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
CID 113068747
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068765
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113068768
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113068774
N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113153840
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide
CID 113068891
N-[2-(2-bromo-4-methyl-N-methylsulfonylanilino)ethyl]propanamide
CID 113071583
2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068793
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070078

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide (CID 113068823) is N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCN(c1ccc(C)cc1C)S(C)(=O)=O.
What is the InChIKey of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide?
The InChIKey is UORPQUPEOFFDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S2/c1-5-6-11-23(20,21)16-9-10-17(22(4,18)19)15-8-7-13(2)12-14(15)3/h7-8,12,16H,5-6,9-11H2,1-4H3.
What are the key properties of N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide?
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide has a molecular weight of 362.52 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 113068823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).