N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide

C14H24N2O5S2 — CID 113065648

IUPACN-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide
SMILESCCC(C)N(CCNS(=O)(=O)c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C14H24N2O5S2/c1-5-12(2)16(22(4,17)18)11-10-15-23(19,20)14-8-6-13(21-3)7-9-14/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyCUOMVZSLSSVJJO-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.03
Rot. Bonds9

About N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide

N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide (PubChem CID 113065648) has the molecular formula C14H24N2O5S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide
PubChem CID113065648
Molecular FormulaC14H24N2O5S2
Molecular Weight364.49 g/mol
Exact Mass364.11
IUPAC NameN-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide
SMILESCCC(C)N(CCNS(=O)(=O)c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C14H24N2O5S2/c1-5-12(2)16(22(4,17)18)11-10-15-23(19,20)14-8-6-13(21-3)7-9-14/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyCUOMVZSLSSVJJO-UHFFFAOYSA-N
XLogP1.03
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 113065645
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
CID 113065646
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 113065672
N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 11000205
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663524
N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 113065032
4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide
CID 113065291
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide
CID 3409975
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide
CID 11140694
4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068589
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide (CID 113065648) is N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide is CCC(C)N(CCNS(=O)(=O)c1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is CUOMVZSLSSVJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5S2/c1-5-12(2)16(22(4,17)18)11-10-15-23(19,20)14-8-6-13(21-3)7-9-14/h6-9,12,15H,5,10-11H2,1-4H3.
What are the key properties of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide?
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 364.49 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 113065648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).