1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide

C17H25N3O3S — CID 121154139

IUPAC1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
SMILESCCc1ccc(S(=O)(=O)N2CC(N3CCC(C(N)=O)CC3)C2)cc1
InChIInChI=1S/C17H25N3O3S/c1-2-13-3-5-16(6-4-13)24(22,23)20-11-15(12-20)19-9-7-14(8-10-19)17(18)21/h3-6,14-15H,2,7-12H2,1H3,(H2,18,21)
InChIKeyIQGXORZWUGPDAT-UHFFFAOYSA-N
MW351.47 g/mol
LogP0.82
Rot. Bonds5

About 1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide

1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121154139) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
PubChem CID121154139
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
SMILESCCc1ccc(S(=O)(=O)N2CC(N3CCC(C(N)=O)CC3)C2)cc1
InChIInChI=1S/C17H25N3O3S/c1-2-13-3-5-16(6-4-13)24(22,23)20-11-15(12-20)19-9-7-14(8-10-19)17(18)21/h3-6,14-15H,2,7-12H2,1H3,(H2,18,21)
InChIKeyIQGXORZWUGPDAT-UHFFFAOYSA-N
XLogP0.82
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154179
1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 119099937
1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154153
1-[4-(2-chloroethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 43612626
1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 31534108
1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154164
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide
CID 3137783
(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993597
[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030896
methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate
CID 146024645
1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154210

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide (CID 121154139) is 1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide is CCc1ccc(S(=O)(=O)N2CC(N3CCC(C(N)=O)CC3)C2)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is IQGXORZWUGPDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-2-13-3-5-16(6-4-13)24(22,23)20-11-15(12-20)19-9-7-14(8-10-19)17(18)21/h3-6,14-15H,2,7-12H2,1H3,(H2,18,21).
What are the key properties of 1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121154139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).