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

C22H28N2O5S — CID 108560040

IUPACN-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)C(C)Oc3ccc(O)cc3)CC2)cc1C
InChIInChI=1S/C22H28N2O5S/c1-15-4-9-21(14-16(15)2)30(27,28)24-12-10-18(11-13-24)23-22(26)17(3)29-20-7-5-19(25)6-8-20/h4-9,14,17-18,25H,10-13H2,1-3H3,(H,23,26)
InChIKeyKYGRIGIKAYKYQB-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.75
Rot. Bonds6

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

N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide (PubChem CID 108560040) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
PubChem CID108560040
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)C(C)Oc3ccc(O)cc3)CC2)cc1C
InChIInChI=1S/C22H28N2O5S/c1-15-4-9-21(14-16(15)2)30(27,28)24-12-10-18(11-13-24)23-22(26)17(3)29-20-7-5-19(25)6-8-20/h4-9,14,17-18,25H,10-13H2,1-3H3,(H,23,26)
InChIKeyKYGRIGIKAYKYQB-UHFFFAOYSA-N
XLogP2.75
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108560042
2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 108560076
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143238
(2S)-N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 41094222
1-(3,4-dimethylphenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 55748874
(2R)-N-cyclopentyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 9332126
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560371
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557567
N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]hydrazinyl]-2-oxoacetamide
CID 46462964
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
4-(dimethylamino)-N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108562803

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide (CID 108560040) is N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C(C)Oc3ccc(O)cc3)CC2)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide?
The InChIKey is KYGRIGIKAYKYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-15-4-9-21(14-16(15)2)30(27,28)24-12-10-18(11-13-24)23-22(26)17(3)29-20-7-5-19(25)6-8-20/h4-9,14,17-18,25H,10-13H2,1-3H3,(H,23,26).
What are the key properties of N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide?
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide has a molecular weight of 432.54 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide is sourced from PubChem (CID 108560040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).