1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone

C18H25NO3S — CID 90593727

IUPAC1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)c1
InChIInChI=1S/C18H25NO3S/c1-14-6-5-7-15(10-14)11-18(20)19-12-17(13-19)23(21,22)16-8-3-2-4-9-16/h5-7,10,16-17H,2-4,8-9,11-13H2,1H3
InChIKeyIGKMLQVFWMXHQX-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.50
Rot. Bonds4

About 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone

1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone (PubChem CID 90593727) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone
PubChem CID90593727
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC Name1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)c1
InChIInChI=1S/C18H25NO3S/c1-14-6-5-7-15(10-14)11-18(20)19-12-17(13-19)23(21,22)16-8-3-2-4-9-16/h5-7,10,16-17H,2-4,8-9,11-13H2,1H3
InChIKeyIGKMLQVFWMXHQX-UHFFFAOYSA-N
XLogP2.50
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dibenzo(c,e)thiepin-5-carboxamide, 5,7-dihydro-N,N-dimethyl-, 6,6-dioxide
CID 3066363
Dibenzo(c,e)thiepin-5,7-dicarboxamide, 5,7-dihydro-N,N,N',N'-tetramethyl-, 6,6-dioxide
CID 3066355
N-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)acetamide
CID 16799580
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-naphthalen-2-ylacetamide
CID 45855022
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-methylphenyl)acetamide
CID 45855023
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 45868666
3-(2-Bromophenyl)-1-(3-(cyclohexylsulfonyl)azetidin-1-yl)propan-1-one
CID 71809316
2-(4-Bromophenyl)-1-(3-(cyclohexylsulfonyl)azetidin-1-yl)ethanone
CID 71809332
2-(Benzenesulfonyl)-2-phenyl-1-piperidin-1-ylethanone
CID 71901972
1-[2-(Methylsulfonyl)ethyl]-5,5-diphenylpiperidin-2-one
CID 72924338
N-benzylsulfonyl-1-[2-(3,5-dimethylphenyl)acetyl]-2-methylazetidine-2-carboxamide
CID 49792551
4-Methyl-8-[2-(3-methylphenyl)acetyl]-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
CID 91923789

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone (CID 90593727) is 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)c1.
What is the InChIKey of 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone?
The InChIKey is IGKMLQVFWMXHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3S/c1-14-6-5-7-15(10-14)11-18(20)19-12-17(13-19)23(21,22)16-8-3-2-4-9-16/h5-7,10,16-17H,2-4,8-9,11-13H2,1H3.
What are the key properties of 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone?
1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone has a molecular weight of 335.47 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 90593727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).