N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide

C13H18N2O3S — CID 66184040

IUPACN-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide
SMILESCCN(C(=O)c1ccc(S(C)(=O)=O)cc1)C1CNC1
InChIInChI=1S/C13H18N2O3S/c1-3-15(11-8-14-9-11)13(16)10-4-6-12(7-5-10)19(2,17)18/h4-7,11,14H,3,8-9H2,1-2H3
InChIKeySIOOFQBDAKANNI-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.52
Rot. Bonds4

About N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide

N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide (PubChem CID 66184040) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide
PubChem CID66184040
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide
SMILESCCN(C(=O)c1ccc(S(C)(=O)=O)cc1)C1CNC1
InChIInChI=1S/C13H18N2O3S/c1-3-15(11-8-14-9-11)13(16)10-4-6-12(7-5-10)19(2,17)18/h4-7,11,14H,3,8-9H2,1-2H3
InChIKeySIOOFQBDAKANNI-UHFFFAOYSA-N
XLogP0.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide
CID 66184231
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide
CID 66184477
N-(2-chloroethyl)-N-cyclopropyl-4-methylsulfonylbenzamide
CID 63394709
N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide
CID 102874024
N-(2-chloroethyl)-N-cyclopentyl-4-methylsulfonylbenzamide
CID 63391222
4-[cyclohexyl(methyl)sulfamoyl]-N-cyclopentyl-N-ethylbenzamide
CID 134060936
N-(azetidin-3-yl)-N-ethyl-3-methylbenzamide
CID 66181460
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766
N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide
CID 102872269
4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119531585
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide
CID 60806173
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 78853832

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide (CID 66184040) is N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide is CCN(C(=O)c1ccc(S(C)(=O)=O)cc1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide?
The InChIKey is SIOOFQBDAKANNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-15(11-8-14-9-11)13(16)10-4-6-12(7-5-10)19(2,17)18/h4-7,11,14H,3,8-9H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide?
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide has a molecular weight of 282.36 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide is sourced from PubChem (CID 66184040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).