N-[2-[5-ethyl-2-(ethylamino)phenyl]ethyl]methanesulfonamide

C13H22N2O2S — CID 23464081

IUPACN-[2-[5-ethyl-2-(ethylamino)phenyl]ethyl]methanesulfonamide
SMILESCCNc1ccc(CC)cc1CCNS(C)(=O)=O
InChIInChI=1S/C13H22N2O2S/c1-4-11-6-7-13(14-5-2)12(10-11)8-9-15-18(3,16)17/h6-7,10,14-15H,4-5,8-9H2,1-3H3
InChIKeySYVCLGDHUNDOIQ-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.77
Rot. Bonds7

About N-[2-[5-ethyl-2-(ethylamino)phenyl]ethyl]methanesulfonamide

N-[2-[5-ethyl-2-(ethylamino)phenyl]ethyl]methanesulfonamide (PubChem CID 23464081) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[2-[5-ethyl-2-(ethylamino)phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-ethyl-2-(ethylamino)phenyl]ethyl]methanesulfonamide
PubChem CID23464081
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[2-[5-ethyl-2-(ethylamino)phenyl]ethyl]methanesulfonamide
SMILESCCNc1ccc(CC)cc1CCNS(C)(=O)=O
InChIInChI=1S/C13H22N2O2S/c1-4-11-6-7-13(14-5-2)12(10-11)8-9-15-18(3,16)17/h6-7,10,14-15H,4-5,8-9H2,1-3H3
InChIKeySYVCLGDHUNDOIQ-UHFFFAOYSA-N
XLogP1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-propylphenyl)ethyl]methanesulfonamide
CID 110787811
N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide
CID 110787932
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide
CID 63210748
N-[2-(3-ethyl-N-[N-[2-(methanesulfonamido)ethyl]-3-propylanilino]anilino)ethyl]methanesulfonamide
CID 57227879
N,2-diethyl-4-methylaniline
CID 23348946
2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide
CID 67901778
4-chloro-2-[2-(methanesulfonamido)ethyl]benzenesulfonic acid
CID 54148909
[4-azaniumyl-3-[2-(methanesulfonamido)ethyl]phenyl]-diethylazanium
CID 23382922
N,2-diethyl-4-fluoroaniline
CID 23348964
N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 30126219
N-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide
CID 18921278
N-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide
CID 122140732

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-ethyl-2-(ethylamino)phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[5-ethyl-2-(ethylamino)phenyl]ethyl]methanesulfonamide (CID 23464081) is N-[2-[5-ethyl-2-(ethylamino)phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-ethyl-2-(ethylamino)phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-ethyl-2-(ethylamino)phenyl]ethyl]methanesulfonamide is CCNc1ccc(CC)cc1CCNS(C)(=O)=O.
What is the InChIKey of N-[2-[5-ethyl-2-(ethylamino)phenyl]ethyl]methanesulfonamide?
The InChIKey is SYVCLGDHUNDOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-11-6-7-13(14-5-2)12(10-11)8-9-15-18(3,16)17/h6-7,10,14-15H,4-5,8-9H2,1-3H3.
What are the key properties of N-[2-[5-ethyl-2-(ethylamino)phenyl]ethyl]methanesulfonamide?
N-[2-[5-ethyl-2-(ethylamino)phenyl]ethyl]methanesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-ethyl-2-(ethylamino)phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 23464081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).