2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide

C22H28N2O4S — CID 18143238

IUPAC2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)C(C)Oc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-16-7-9-21(10-8-16)29(26,27)24-13-11-19(12-14-24)23-22(25)18(3)28-20-6-4-5-17(2)15-20/h4-10,15,18-19H,11-14H2,1-3H3,(H,23,25)
InChIKeyRYBSWSGWISYZCY-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.04
Rot. Bonds6

About 2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide

2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide (PubChem CID 18143238) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
PubChem CID18143238
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)C(C)Oc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-16-7-9-21(10-8-16)29(26,27)24-13-11-19(12-14-24)23-22(25)18(3)28-20-6-4-5-17(2)15-20/h4-10,15,18-19H,11-14H2,1-3H3,(H,23,25)
InChIKeyRYBSWSGWISYZCY-UHFFFAOYSA-N
XLogP3.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
(2S)-2-(3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 7760214
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108560040
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108560042
(2S)-N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 41094222
2-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133240632
2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide
CID 119699508
2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 120984521
(2R)-N-cyclopentyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 9332126
N-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidin-4-amine
CID 119979765

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide (CID 18143238) is 2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C(C)Oc3cccc(C)c3)CC2)cc1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide?
The InChIKey is RYBSWSGWISYZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-16-7-9-21(10-8-16)29(26,27)24-13-11-19(12-14-24)23-22(25)18(3)28-20-6-4-5-17(2)15-20/h4-10,15,18-19H,11-14H2,1-3H3,(H,23,25).
What are the key properties of 2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide?
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide has a molecular weight of 416.54 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide is sourced from PubChem (CID 18143238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).