3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide

C22H34N2O3S — CID 17475695

IUPAC3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NCC2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C22H34N2O3S/c1-19-8-10-20(11-9-19)28(26,27)17-12-21(25)23-18-22(13-4-2-5-14-22)24-15-6-3-7-16-24/h8-11H,2-7,12-18H2,1H3,(H,23,25)
InChIKeyUYILMWIAGSNWKP-UHFFFAOYSA-N
MW406.59 g/mol
LogP3.46
Rot. Bonds7

About 3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide

3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide (PubChem CID 17475695) has the molecular formula C22H34N2O3S and a molecular weight of 406.59 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
PubChem CID17475695
Molecular FormulaC22H34N2O3S
Molecular Weight406.59 g/mol
Exact Mass406.23
IUPAC Name3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NCC2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C22H34N2O3S/c1-19-8-10-20(11-9-19)28(26,27)17-12-21(25)23-18-22(13-4-2-5-14-22)24-15-6-3-7-16-24/h8-11H,2-7,12-18H2,1H3,(H,23,25)
InChIKeyUYILMWIAGSNWKP-UHFFFAOYSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.59
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 120890633
3-(4-acetamidophenyl)sulfonyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631466
4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
CID 36554858
4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide
CID 61249197
N-(1-cyanocyclopentyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 86913584
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 31328500
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide
CID 2561314
3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 25161687
3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 31328580

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide (CID 17475695) is 3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide is Cc1ccc(S(=O)(=O)CCC(=O)NCC2(N3CCCCC3)CCCCC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The InChIKey is UYILMWIAGSNWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3S/c1-19-8-10-20(11-9-19)28(26,27)17-12-21(25)23-18-22(13-4-2-5-14-22)24-15-6-3-7-16-24/h8-11H,2-7,12-18H2,1H3,(H,23,25).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide has a molecular weight of 406.59 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 17475695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).