N-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]methanesulfonamide

C15H25NO4S — CID 47062244

IUPACN-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]methanesulfonamide
SMILESCOc1cc(C(C)NS(C)(=O)=O)ccc1OCCC(C)C
InChIInChI=1S/C15H25NO4S/c1-11(2)8-9-20-14-7-6-13(10-15(14)19-4)12(3)16-21(5,17)18/h6-7,10-12,16H,8-9H2,1-5H3
InChIKeyUSKANTXDZHOZGK-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.73
Rot. Bonds8

About N-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]methanesulfonamide

N-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]methanesulfonamide (PubChem CID 47062244) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]methanesulfonamide
PubChem CID47062244
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC NameN-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]methanesulfonamide
SMILESCOc1cc(C(C)NS(C)(=O)=O)ccc1OCCC(C)C
InChIInChI=1S/C15H25NO4S/c1-11(2)8-9-20-14-7-6-13(10-15(14)19-4)12(3)16-21(5,17)18/h6-7,10-12,16H,8-9H2,1-5H3
InChIKeyUSKANTXDZHOZGK-UHFFFAOYSA-N
XLogP2.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide
CID 66838352
N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine
CID 43279451
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide
CID 47013228
N-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 63190643
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 28560607
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 54935544
4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 18839435
[3-methoxy-4-(3-methylbutoxy)phenyl]methanethiol
CID 123919756
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
4-[1-(4-butoxy-3-methoxyphenyl)ethylsulfamoyl]-1-methylpyrazole-5-carboxylic acid
CID 166396166
N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]methanesulfonamide (CID 47062244) is N-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]methanesulfonamide is COc1cc(C(C)NS(C)(=O)=O)ccc1OCCC(C)C.
What is the InChIKey of N-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]methanesulfonamide?
The InChIKey is USKANTXDZHOZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-11(2)8-9-20-14-7-6-13(10-15(14)19-4)12(3)16-21(5,17)18/h6-7,10-12,16H,8-9H2,1-5H3.
What are the key properties of N-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]methanesulfonamide?
N-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]methanesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 47062244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).