N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide

C22H28N2O4S — CID 108561671

IUPACN-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide
SMILESCCc1ccc(S(=O)(=O)N2CCC(NC(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-2-18-8-10-21(11-9-18)29(26,27)24-15-12-19(13-16-24)23-22(25)14-17-28-20-6-4-3-5-7-20/h3-11,19H,2,12-17H2,1H3,(H,23,25)
InChIKeyRNKHMAVGRSUTTQ-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.99
Rot. Bonds8

About N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide

N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide (PubChem CID 108561671) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide
PubChem CID108561671
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide
SMILESCCc1ccc(S(=O)(=O)N2CCC(NC(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-2-18-8-10-21(11-9-18)29(26,27)24-15-12-19(13-16-24)23-22(25)14-17-28-20-6-4-3-5-7-20/h3-11,19H,2,12-17H2,1H3,(H,23,25)
InChIKeyRNKHMAVGRSUTTQ-UHFFFAOYSA-N
XLogP2.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-1-one
CID 108569435
N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
CID 61073647
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide
CID 108561675
N-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenoxy]propanamide
CID 142457884
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
3-(4-ethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 108736229
4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108565892
3-(4-ethylphenoxy)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]propanamide
CID 108736110
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 24611994
N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559760
2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559998
N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 51294911

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide?
The IUPAC name of N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide (CID 108561671) is N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide is CCc1ccc(S(=O)(=O)N2CCC(NC(=O)CCOc3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide?
The InChIKey is RNKHMAVGRSUTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-2-18-8-10-21(11-9-18)29(26,27)24-15-12-19(13-16-24)23-22(25)14-17-28-20-6-4-3-5-7-20/h3-11,19H,2,12-17H2,1H3,(H,23,25).
What are the key properties of N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide?
N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide has a molecular weight of 416.54 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide is sourced from PubChem (CID 108561671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).