3-(3-chloro-4-methylphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanamide

C22H27ClN2O4S — CID 24611977

IUPAC3-(3-chloro-4-methylphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(=O)CCc3ccc(C)c(Cl)c3)CC2)cc1
InChIInChI=1S/C22H27ClN2O4S/c1-16-3-4-17(15-21(16)23)5-10-22(26)24-18-11-13-25(14-12-18)30(27,28)20-8-6-19(29-2)7-9-20/h3-4,6-9,15,18H,5,10-14H2,1-2H3,(H,24,26)
InChIKeySODMBAVYFYEJGF-UHFFFAOYSA-N
MW450.99 g/mol
LogP3.56
Rot. Bonds7

About 3-(3-chloro-4-methylphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanamide

3-(3-chloro-4-methylphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanamide (PubChem CID 24611977) has the molecular formula C22H27ClN2O4S and a molecular weight of 450.99 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanamide
PubChem CID24611977
Molecular FormulaC22H27ClN2O4S
Molecular Weight450.99 g/mol
Exact Mass450.14
IUPAC Name3-(3-chloro-4-methylphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(=O)CCc3ccc(C)c(Cl)c3)CC2)cc1
InChIInChI=1S/C22H27ClN2O4S/c1-16-3-4-17(15-21(16)23)5-10-22(26)24-18-11-13-25(14-12-18)30(27,28)20-8-6-19(29-2)7-9-20/h3-4,6-9,15,18H,5,10-14H2,1-2H3,(H,24,26)
InChIKeySODMBAVYFYEJGF-UHFFFAOYSA-N
XLogP3.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpentanamide
CID 25465668
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 41171859
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 24611994
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24611970
3-(1,3-benzodioxol-5-yl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 42030306
N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2672974
N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 17376128
3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 108562318
N-(1-ethylpiperidin-4-yl)-3-(4-methoxyphenyl)propanamide
CID 17250230
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanamide (CID 24611977) is 3-(3-chloro-4-methylphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanamide is COc1ccc(S(=O)(=O)N2CCC(NC(=O)CCc3ccc(C)c(Cl)c3)CC2)cc1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanamide?
The InChIKey is SODMBAVYFYEJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4S/c1-16-3-4-17(15-21(16)23)5-10-22(26)24-18-11-13-25(14-12-18)30(27,28)20-8-6-19(29-2)7-9-20/h3-4,6-9,15,18H,5,10-14H2,1-2H3,(H,24,26).
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanamide?
3-(3-chloro-4-methylphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanamide has a molecular weight of 450.99 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanamide is sourced from PubChem (CID 24611977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).