3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide

C22H27ClN2O3S — CID 108562318

IUPAC3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)CCc3ccc(Cl)cc3)CC2)c(C)c1
InChIInChI=1S/C22H27ClN2O3S/c1-16-3-9-21(17(2)15-16)29(27,28)25-13-11-20(12-14-25)24-22(26)10-6-18-4-7-19(23)8-5-18/h3-5,7-9,15,20H,6,10-14H2,1-2H3,(H,24,26)
InChIKeyQQGKCTWHZMOGRG-UHFFFAOYSA-N
MW434.99 g/mol
LogP3.86
Rot. Bonds6

About 3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide

3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide (PubChem CID 108562318) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide
PubChem CID108562318
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC Name3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)CCc3ccc(Cl)cc3)CC2)c(C)c1
InChIInChI=1S/C22H27ClN2O3S/c1-16-3-9-21(17(2)15-16)29(27,28)25-13-11-20(12-14-25)24-22(26)10-6-18-4-7-19(23)8-5-18/h3-5,7-9,15,20H,6,10-14H2,1-2H3,(H,24,26)
InChIKeyQQGKCTWHZMOGRG-UHFFFAOYSA-N
XLogP3.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide
CID 108561675
2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108559899
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559242
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide
CID 108562193
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide
CID 108562672
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108560906
3-(3-chloro-4-methylphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanamide
CID 24611977
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108560467
N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 108562226
3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556580
N-cyclopropyl-2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 55389831
N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 110823232

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide (CID 108562318) is 3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)CCc3ccc(Cl)cc3)CC2)c(C)c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide?
The InChIKey is QQGKCTWHZMOGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c1-16-3-9-21(17(2)15-16)29(27,28)25-13-11-20(12-14-25)24-22(26)10-6-18-4-7-19(23)8-5-18/h3-5,7-9,15,20H,6,10-14H2,1-2H3,(H,24,26).
What are the key properties of 3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide?
3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide has a molecular weight of 434.99 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide is sourced from PubChem (CID 108562318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).