N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide

C16H26N2O2S — CID 107329148

IUPACN-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide
SMILESCCNc1cc(C)c(S(=O)(=O)NCCC2CCC2)c(C)c1
InChIInChI=1S/C16H26N2O2S/c1-4-17-15-10-12(2)16(13(3)11-15)21(19,20)18-9-8-14-6-5-7-14/h10-11,14,17-18H,4-9H2,1-3H3
InChIKeyVBJASPIYKMVRJC-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.20
Rot. Bonds7

About N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide

N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide (PubChem CID 107329148) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide
PubChem CID107329148
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide
SMILESCCNc1cc(C)c(S(=O)(=O)NCCC2CCC2)c(C)c1
InChIInChI=1S/C16H26N2O2S/c1-4-17-15-10-12(2)16(13(3)11-15)21(19,20)18-9-8-14-6-5-7-14/h10-11,14,17-18H,4-9H2,1-3H3
InChIKeyVBJASPIYKMVRJC-UHFFFAOYSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 107328918
3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide
CID 107328689
N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 115690445
4-(ethylamino)-N,2,6-trimethylbenzenesulfonamide
CID 107328529
4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331206
4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997135
4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide
CID 107329086
2-bromo-N-(2-cyclobutylethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide
CID 114363296
4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide
CID 107328484
2,6-dimethyl-4-nitro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979216
N-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide
CID 107328516
3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 114380201

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide (CID 107329148) is N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide is CCNc1cc(C)c(S(=O)(=O)NCCC2CCC2)c(C)c1.
What is the InChIKey of N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide?
The InChIKey is VBJASPIYKMVRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-17-15-10-12(2)16(13(3)11-15)21(19,20)18-9-8-14-6-5-7-14/h10-11,14,17-18H,4-9H2,1-3H3.
What are the key properties of N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide?
N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107329148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).