N-[4-[2-(3-ethoxycyclobutyl)acetyl]phenyl]methanesulfonamide

C15H21NO4S — CID 103162368

IUPACN-[4-[2-(3-ethoxycyclobutyl)acetyl]phenyl]methanesulfonamide
SMILESCCOC1CC(CC(=O)c2ccc(NS(C)(=O)=O)cc2)C1
InChIInChI=1S/C15H21NO4S/c1-3-20-14-8-11(9-14)10-15(17)12-4-6-13(7-5-12)16-21(2,18)19/h4-7,11,14,16H,3,8-10H2,1-2H3
InChIKeyUPLILWNDBWVCIZ-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.45
Rot. Bonds7

About N-[4-[2-(3-ethoxycyclobutyl)acetyl]phenyl]methanesulfonamide

N-[4-[2-(3-ethoxycyclobutyl)acetyl]phenyl]methanesulfonamide (PubChem CID 103162368) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-[4-[2-(3-ethoxycyclobutyl)acetyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(3-ethoxycyclobutyl)acetyl]phenyl]methanesulfonamide
PubChem CID103162368
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-[4-[2-(3-ethoxycyclobutyl)acetyl]phenyl]methanesulfonamide
SMILESCCOC1CC(CC(=O)c2ccc(NS(C)(=O)=O)cc2)C1
InChIInChI=1S/C15H21NO4S/c1-3-20-14-8-11(9-14)10-15(17)12-4-6-13(7-5-12)16-21(2,18)19/h4-7,11,14,16H,3,8-10H2,1-2H3
InChIKeyUPLILWNDBWVCIZ-UHFFFAOYSA-N
XLogP2.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-heptanoylphenyl)methanesulfonamide
CID 114752118
2-(3-ethoxycyclobutyl)-N-(4-sulfamoylphenyl)acetamide
CID 103164408
1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone
CID 103167728
1-(3-cyclobutylphenyl)-2-(3-ethoxycyclobutyl)ethanone
CID 103168158
2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone
CID 103162359
N-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride
CID 45357491
N-(3-amino-4-ethylphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161581
1-adamantylmethyl 4-(methanesulfonamido)benzoate
CID 5305298
N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide
CID 43161158
N-[4-(2-imidazol-1-ylacetyl)phenyl]methanesulfonamide
CID 3059770
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 43339023
N-[4-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methanesulfonamide
CID 102738206

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-ethoxycyclobutyl)acetyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(3-ethoxycyclobutyl)acetyl]phenyl]methanesulfonamide (CID 103162368) is N-[4-[2-(3-ethoxycyclobutyl)acetyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(3-ethoxycyclobutyl)acetyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(3-ethoxycyclobutyl)acetyl]phenyl]methanesulfonamide is CCOC1CC(CC(=O)c2ccc(NS(C)(=O)=O)cc2)C1.
What is the InChIKey of N-[4-[2-(3-ethoxycyclobutyl)acetyl]phenyl]methanesulfonamide?
The InChIKey is UPLILWNDBWVCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-3-20-14-8-11(9-14)10-15(17)12-4-6-13(7-5-12)16-21(2,18)19/h4-7,11,14,16H,3,8-10H2,1-2H3.
What are the key properties of N-[4-[2-(3-ethoxycyclobutyl)acetyl]phenyl]methanesulfonamide?
N-[4-[2-(3-ethoxycyclobutyl)acetyl]phenyl]methanesulfonamide has a molecular weight of 311.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-ethoxycyclobutyl)acetyl]phenyl]methanesulfonamide is sourced from PubChem (CID 103162368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).