N-[4-(difluoromethoxy)phenyl]-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetamide

C20H26F2N4O4S — CID 26685907

IUPACN-[4-(difluoromethoxy)phenyl]-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(OC(F)F)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C20H26F2N4O4S/c1-13-8-10-25(11-9-13)31(28,29)19-14(2)24-26(15(19)3)12-18(27)23-16-4-6-17(7-5-16)30-20(21)22/h4-7,13,20H,8-12H2,1-3H3,(H,23,27)
InChIKeySXTCPQZIDNGPJD-UHFFFAOYSA-N
MW456.52 g/mol
LogP3.16
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetamide

N-[4-(difluoromethoxy)phenyl]-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetamide (PubChem CID 26685907) has the molecular formula C20H26F2N4O4S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetamide
PubChem CID26685907
Molecular FormulaC20H26F2N4O4S
Molecular Weight456.52 g/mol
Exact Mass456.16
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(OC(F)F)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C20H26F2N4O4S/c1-13-8-10-25(11-9-13)31(28,29)19-14(2)24-26(15(19)3)12-18(27)23-16-4-6-17(7-5-16)30-20(21)22/h4-7,13,20H,8-12H2,1-3H3,(H,23,27)
InChIKeySXTCPQZIDNGPJD-UHFFFAOYSA-N
XLogP3.16
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide
CID 46345116
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 30656702
3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 46345015
N-(3-acetylphenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 46345123
2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-1-(3,4-dimethylphenyl)ethanone
CID 9474570
N-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 46345113
N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 4818615
3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 50794531
1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide
CID 34033160
N-(5-chloro-2-methylphenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 46345111
N-cycloheptyl-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 50794548
N-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide
CID 24582052

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetamide (CID 26685907) is N-[4-(difluoromethoxy)phenyl]-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetamide is Cc1nn(CC(=O)Nc2ccc(OC(F)F)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetamide?
The InChIKey is SXTCPQZIDNGPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O4S/c1-13-8-10-25(11-9-13)31(28,29)19-14(2)24-26(15(19)3)12-18(27)23-16-4-6-17(7-5-16)30-20(21)22/h4-7,13,20H,8-12H2,1-3H3,(H,23,27).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetamide has a molecular weight of 456.52 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetamide is sourced from PubChem (CID 26685907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).