N,2-dimethyl-N-[2-[2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide

C24H29N5O4S — CID 123187691

IUPACN,2-dimethyl-N-[2-[2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)CCOc1ccnc(N2CCC(Oc3ccncc3)CC2)n1
InChIInChI=1S/C24H29N5O4S/c1-19-5-3-4-6-22(19)34(30,31)28(2)17-18-32-23-9-14-26-24(27-23)29-15-10-21(11-16-29)33-20-7-12-25-13-8-20/h3-9,12-14,21H,10-11,15-18H2,1-2H3
InChIKeyFYRAVHKRXBTZDV-UHFFFAOYSA-N
MW483.59 g/mol
LogP2.93
Rot. Bonds9

About N,2-dimethyl-N-[2-[2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide

N,2-dimethyl-N-[2-[2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide (PubChem CID 123187691) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide
PubChem CID123187691
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC NameN,2-dimethyl-N-[2-[2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)CCOc1ccnc(N2CCC(Oc3ccncc3)CC2)n1
InChIInChI=1S/C24H29N5O4S/c1-19-5-3-4-6-22(19)34(30,31)28(2)17-18-32-23-9-14-26-24(27-23)29-15-10-21(11-16-29)33-20-7-12-25-13-8-20/h3-9,12-14,21H,10-11,15-18H2,1-2H3
InChIKeyFYRAVHKRXBTZDV-UHFFFAOYSA-N
XLogP2.93
TPSA97.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-Fluoro-4-methanesulfonyl-phenoxy)-5-methyl-6-[1-(2-pyridin-3-yl-ethyl)-piperidin-4-yloxy]-pyrimidine
CID 59856866
4-[1-(4-Fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-5-pyridin-4-ylpyrimidine
CID 118675941
5-Ethanimidoyl-6-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-[4-[(4-methoxy-2-pyridinyl)sulfanylamino]phenyl]pyrimidin-4-amine
CID 170725023
4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine
CID 56575792
N,N-dimethyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]sulfonylnaphthalen-1-amine
CID 74226388
4-((1-((4-Fluorophenyl)sulfonyl)piperidin-4-yl)oxy)-2-methoxypyrimidine
CID 121161634
4-((1-((2-Fluorophenyl)sulfonyl)piperidin-4-yl)oxy)-2-methoxypyrimidine
CID 121161669
4-((1-((3-Fluorophenyl)sulfonyl)piperidin-4-yl)oxy)-2-methoxypyrimidine
CID 121161671
2-Methoxy-4-((1-((3-(trifluoromethyl)phenyl)sulfonyl)piperidin-4-yl)oxy)pyrimidine
CID 121161683
2-Methoxy-4-((1-((4-(trifluoromethyl)phenyl)sulfonyl)piperidin-4-yl)oxy)pyrimidine
CID 121161684
4-((1-((3-Fluorobenzyl)sulfonyl)piperidin-4-yl)oxy)-2-methoxypyrimidine
CID 121161692
4-((1-((4-Fluorobenzyl)sulfonyl)piperidin-4-yl)oxy)-2-methoxypyrimidine
CID 121161693

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide?
The IUPAC name of N,2-dimethyl-N-[2-[2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide (CID 123187691) is N,2-dimethyl-N-[2-[2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-N-[2-[2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-N-[2-[2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)N(C)CCOc1ccnc(N2CCC(Oc3ccncc3)CC2)n1.
What is the InChIKey of N,2-dimethyl-N-[2-[2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide?
The InChIKey is FYRAVHKRXBTZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-19-5-3-4-6-22(19)34(30,31)28(2)17-18-32-23-9-14-26-24(27-23)29-15-10-21(11-16-29)33-20-7-12-25-13-8-20/h3-9,12-14,21H,10-11,15-18H2,1-2H3.
What are the key properties of N,2-dimethyl-N-[2-[2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide?
N,2-dimethyl-N-[2-[2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide has a molecular weight of 483.59 g/mol, XLogP of 2.93, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-[2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide is sourced from PubChem (CID 123187691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).