N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide

C21H26N2O4S — CID 49065807

IUPACN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O4S/c1-17(27-19-8-4-2-5-9-19)21(24)22-16-18-12-14-23(15-13-18)28(25,26)20-10-6-3-7-11-20/h2-11,17-18H,12-16H2,1H3,(H,22,24)
InChIKeyZXADVDVOIIQCEJ-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.67
Rot. Bonds7

About N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide

N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide (PubChem CID 49065807) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
PubChem CID49065807
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O4S/c1-17(27-19-8-4-2-5-9-19)21(24)22-16-18-12-14-23(15-13-18)28(25,26)20-10-6-3-7-11-20/h2-11,17-18H,12-16H2,1H3,(H,22,24)
InChIKeyZXADVDVOIIQCEJ-UHFFFAOYSA-N
XLogP2.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-butylsulfanylpropanamide
CID 49065427
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56522063
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide
CID 133234857
N-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 49065469
2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2948246
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111001489
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2-methylpropyl)guanidine
CID 111091360
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide
CID 60604892
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine
CID 110930259
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143238
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405

Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide?
The IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide (CID 49065807) is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide?
The canonical SMILES for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide?
The InChIKey is ZXADVDVOIIQCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-17(27-19-8-4-2-5-9-19)21(24)22-16-18-12-14-23(15-13-18)28(25,26)20-10-6-3-7-11-20/h2-11,17-18H,12-16H2,1H3,(H,22,24).
What are the key properties of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide?
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide has a molecular weight of 402.52 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide is sourced from PubChem (CID 49065807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).