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

C24H29N5O4S — CID 123461315

IUPACN,2-dimethyl-N-[2-[4-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-2-yl]oxyethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)CCOc1nccc(N2CCC(Oc3ccncc3)CC2)n1
InChIInChI=1S/C24H29N5O4S/c1-19-5-3-4-6-22(19)34(30,31)28(2)17-18-32-24-26-14-9-23(27-24)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
InChIKeySTGKHLACBLTHQP-UHFFFAOYSA-N
MW483.59 g/mol
LogP2.93
Rot. Bonds9

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

N,2-dimethyl-N-[2-[4-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-2-yl]oxyethyl]benzenesulfonamide (PubChem CID 123461315) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[4-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-2-yl]oxyethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[4-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-2-yl]oxyethyl]benzenesulfonamide
PubChem CID123461315
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC NameN,2-dimethyl-N-[2-[4-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-2-yl]oxyethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)CCOc1nccc(N2CCC(Oc3ccncc3)CC2)n1
InChIInChI=1S/C24H29N5O4S/c1-19-5-3-4-6-22(19)34(30,31)28(2)17-18-32-24-26-14-9-23(27-24)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
InChIKeySTGKHLACBLTHQP-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

1-[6-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]oxypyrimidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole
CID 46897577
N-[5-(2-methoxyphenoxy)-2-morpholin-4-yl-6-prop-2-ynoxypyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
CID 44385576
4-ethyl-N-(2-((6-morpholinopyrimidin-4-yl)oxy)ethyl)benzenesulfonamide
CID 44118178
4-N-(4-fluorophenyl)-2-N-[4-(3-pyridin-4-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine
CID 59274919
4-[1-(4-Fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-5-pyridin-4-ylpyrimidine
CID 118675941
5-Ethanimidoyl-2-[3-fluoro-4-[(4-methoxy-2-pyridinyl)sulfanylamino]phenyl]-6-(1-propan-2-ylpiperidin-4-yl)oxypyrimidin-4-amine
CID 164580767
5-Ethanimidoyl-6-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-[4-(pyridin-2-ylsulfanylamino)phenyl]pyrimidin-4-amine
CID 170721833
5-Ethanimidoyl-6-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-[4-[(4-methoxy-2-pyridinyl)sulfanylamino]phenyl]pyrimidin-4-amine
CID 170725023
4-(2,4-Diaminopyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-sulfonamide
CID 142576056
N,N-dimethyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]sulfonylnaphthalen-1-amine
CID 74226388
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

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[4-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-2-yl]oxyethyl]benzenesulfonamide?
The IUPAC name of N,2-dimethyl-N-[2-[4-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-2-yl]oxyethyl]benzenesulfonamide (CID 123461315) is N,2-dimethyl-N-[2-[4-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-2-yl]oxyethyl]benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-N-[2-[4-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-2-yl]oxyethyl]benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-N-[2-[4-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-2-yl]oxyethyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)N(C)CCOc1nccc(N2CCC(Oc3ccncc3)CC2)n1.
What is the InChIKey of N,2-dimethyl-N-[2-[4-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-2-yl]oxyethyl]benzenesulfonamide?
The InChIKey is STGKHLACBLTHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-19-5-3-4-6-22(19)34(30,31)28(2)17-18-32-24-26-14-9-23(27-24)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-[4-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-2-yl]oxyethyl]benzenesulfonamide?
N,2-dimethyl-N-[2-[4-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-2-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-[4-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-2-yl]oxyethyl]benzenesulfonamide is sourced from PubChem (CID 123461315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).