N-[4-[5-[3,3-dimethylbutyl(ethyl)amino]-2-methylpentan-2-yl]phenyl]methanesulfonamide

C21H38N2O2S — CID 137444610

IUPACN-[4-[5-[3,3-dimethylbutyl(ethyl)amino]-2-methylpentan-2-yl]phenyl]methanesulfonamide
SMILESCCN(CCCC(C)(C)c1ccc(NS(C)(=O)=O)cc1)CCC(C)(C)C
InChIInChI=1S/C21H38N2O2S/c1-8-23(17-15-20(2,3)4)16-9-14-21(5,6)18-10-12-19(13-11-18)22-26(7,24)25/h10-13,22H,8-9,14-17H2,1-7H3
InChIKeyBUZUDTFCQNZGOZ-UHFFFAOYSA-N
MW382.61 g/mol
LogP4.87
Rot. Bonds10

About N-[4-[5-[3,3-dimethylbutyl(ethyl)amino]-2-methylpentan-2-yl]phenyl]methanesulfonamide

N-[4-[5-[3,3-dimethylbutyl(ethyl)amino]-2-methylpentan-2-yl]phenyl]methanesulfonamide (PubChem CID 137444610) has the molecular formula C21H38N2O2S and a molecular weight of 382.61 g/mol. Its IUPAC name is N-[4-[5-[3,3-dimethylbutyl(ethyl)amino]-2-methylpentan-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-[3,3-dimethylbutyl(ethyl)amino]-2-methylpentan-2-yl]phenyl]methanesulfonamide
PubChem CID137444610
Molecular FormulaC21H38N2O2S
Molecular Weight382.61 g/mol
Exact Mass382.27
IUPAC NameN-[4-[5-[3,3-dimethylbutyl(ethyl)amino]-2-methylpentan-2-yl]phenyl]methanesulfonamide
SMILESCCN(CCCC(C)(C)c1ccc(NS(C)(=O)=O)cc1)CCC(C)(C)C
InChIInChI=1S/C21H38N2O2S/c1-8-23(17-15-20(2,3)4)16-9-14-21(5,6)18-10-12-19(13-11-18)22-26(7,24)25/h10-13,22H,8-9,14-17H2,1-7H3
InChIKeyBUZUDTFCQNZGOZ-UHFFFAOYSA-N
XLogP4.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.61
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[3,3-dimethylbutyl(ethyl)amino]-2-methylpentan-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[5-[3,3-dimethylbutyl(ethyl)amino]-2-methylpentan-2-yl]phenyl]methanesulfonamide (CID 137444610) is N-[4-[5-[3,3-dimethylbutyl(ethyl)amino]-2-methylpentan-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[5-[3,3-dimethylbutyl(ethyl)amino]-2-methylpentan-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[5-[3,3-dimethylbutyl(ethyl)amino]-2-methylpentan-2-yl]phenyl]methanesulfonamide is CCN(CCCC(C)(C)c1ccc(NS(C)(=O)=O)cc1)CCC(C)(C)C.
What is the InChIKey of N-[4-[5-[3,3-dimethylbutyl(ethyl)amino]-2-methylpentan-2-yl]phenyl]methanesulfonamide?
The InChIKey is BUZUDTFCQNZGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O2S/c1-8-23(17-15-20(2,3)4)16-9-14-21(5,6)18-10-12-19(13-11-18)22-26(7,24)25/h10-13,22H,8-9,14-17H2,1-7H3.
What are the key properties of N-[4-[5-[3,3-dimethylbutyl(ethyl)amino]-2-methylpentan-2-yl]phenyl]methanesulfonamide?
N-[4-[5-[3,3-dimethylbutyl(ethyl)amino]-2-methylpentan-2-yl]phenyl]methanesulfonamide has a molecular weight of 382.61 g/mol, XLogP of 4.87, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[3,3-dimethylbutyl(ethyl)amino]-2-methylpentan-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 137444610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).