5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide

C19H26N4O4S — CID 146024604

IUPAC5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(Cn3nc(C)cc3C)CC2)cc1C(N)=O
InChIInChI=1S/C19H26N4O4S/c1-13-10-14(2)23(21-13)12-15-6-8-22(9-7-15)28(25,26)16-4-5-18(27-3)17(11-16)19(20)24/h4-5,10-11,15H,6-9,12H2,1-3H3,(H2,20,24)
InChIKeyXWQXJSTXQIUCEE-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.71
Rot. Bonds6

About 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide

5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide (PubChem CID 146024604) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide.

Molecular Properties

Compound Name5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide
PubChem CID146024604
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(Cn3nc(C)cc3C)CC2)cc1C(N)=O
InChIInChI=1S/C19H26N4O4S/c1-13-10-14(2)23(21-13)12-15-6-8-22(9-7-15)28(25,26)16-4-5-18(27-3)17(11-16)19(20)24/h4-5,10-11,15H,6-9,12H2,1-3H3,(H2,20,24)
InChIKeyXWQXJSTXQIUCEE-UHFFFAOYSA-N
XLogP1.71
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid
CID 146024578
2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119979778
2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
CID 171134280
5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
CID 119983942
1-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 146022822
5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2-methoxybenzamide;hydrochloride
CID 119989115
2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide
CID 155801171
2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide
CID 122346049
5-(azepan-1-ylsulfonyl)-2-ethoxybenzamide
CID 171134249
N-(3,4-dimethoxyphenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90495459
[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90495021
2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
CID 146024506

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide?
The IUPAC name of 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide (CID 146024604) is 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide.
What is the SMILES notation for 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide?
The canonical SMILES for 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide is COc1ccc(S(=O)(=O)N2CCC(Cn3nc(C)cc3C)CC2)cc1C(N)=O.
What is the InChIKey of 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide?
The InChIKey is XWQXJSTXQIUCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-13-10-14(2)23(21-13)12-15-6-8-22(9-7-15)28(25,26)16-4-5-18(27-3)17(11-16)19(20)24/h4-5,10-11,15H,6-9,12H2,1-3H3,(H2,20,24).
What are the key properties of 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide?
5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide has a molecular weight of 406.51 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide is sourced from PubChem (CID 146024604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).