N-[[1-(4-pyridin-2-yloxyphenyl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide

C20H23N3O4S — CID 89236736

IUPACN-[[1-(4-pyridin-2-yloxyphenyl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCN(S(=O)(=O)c2ccc(Oc3ccccn3)cc2)CC1
InChIInChI=1S/C20H23N3O4S/c1-2-19(24)22-15-16-10-13-23(14-11-16)28(25,26)18-8-6-17(7-9-18)27-20-5-3-4-12-21-20/h2-9,12,16H,1,10-11,13-15H2,(H,22,24)
InChIKeyMWTKEPLDEFONJI-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.58
Rot. Bonds7

About N-[[1-(4-pyridin-2-yloxyphenyl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide

N-[[1-(4-pyridin-2-yloxyphenyl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide (PubChem CID 89236736) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[[1-(4-pyridin-2-yloxyphenyl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[1-(4-pyridin-2-yloxyphenyl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide
PubChem CID89236736
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[[1-(4-pyridin-2-yloxyphenyl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCN(S(=O)(=O)c2ccc(Oc3ccccn3)cc2)CC1
InChIInChI=1S/C20H23N3O4S/c1-2-19(24)22-15-16-10-13-23(14-11-16)28(25,26)18-8-6-17(7-9-18)27-20-5-3-4-12-21-20/h2-9,12,16H,1,10-11,13-15H2,(H,22,24)
InChIKeyMWTKEPLDEFONJI-UHFFFAOYSA-N
XLogP2.58
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide
CID 89236264
N-[[1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfonylpiperidin-4-yl]methyl]prop-2-enamide
CID 89237097
N-(naphthalen-1-ylmethyl)-4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylbenzamide
CID 89237476
N-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide
CID 89238501
benzyl N-[[1-[4-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]methyl]carbamate
CID 52939774
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide
CID 90521514
N-[1-[(6-phenoxy-3-pyridinyl)sulfonyl]azepan-3-yl]prop-2-enamide
CID 89236222
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylbenzamide
CID 89236254
4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide
CID 119310285
N-[3-(4-phenoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide
CID 89239122
N-[[1-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidin-4-yl]methyl]prop-2-enamide
CID 89236667
N-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 52938413

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-pyridin-2-yloxyphenyl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[1-(4-pyridin-2-yloxyphenyl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide (CID 89236736) is N-[[1-(4-pyridin-2-yloxyphenyl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[1-(4-pyridin-2-yloxyphenyl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[1-(4-pyridin-2-yloxyphenyl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide is C=CC(=O)NCC1CCN(S(=O)(=O)c2ccc(Oc3ccccn3)cc2)CC1.
What is the InChIKey of N-[[1-(4-pyridin-2-yloxyphenyl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide?
The InChIKey is MWTKEPLDEFONJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-2-19(24)22-15-16-10-13-23(14-11-16)28(25,26)18-8-6-17(7-9-18)27-20-5-3-4-12-21-20/h2-9,12,16H,1,10-11,13-15H2,(H,22,24).
What are the key properties of N-[[1-(4-pyridin-2-yloxyphenyl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide?
N-[[1-(4-pyridin-2-yloxyphenyl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide has a molecular weight of 401.49 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-pyridin-2-yloxyphenyl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide is sourced from PubChem (CID 89236736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).