1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide

C25H30N4O4S — CID 53076020

IUPAC1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)CC1
InChIInChI=1S/C25H30N4O4S/c1-17-10-11-23(33-4)22(16-17)26-25(30)20-12-14-28(15-13-20)34(31,32)24-18(2)27-29(19(24)3)21-8-6-5-7-9-21/h5-11,16,20H,12-15H2,1-4H3,(H,26,30)
InChIKeyXHFLUFDPBYPLAF-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.85
Rot. Bonds6

About 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide (PubChem CID 53076020) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
PubChem CID53076020
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)CC1
InChIInChI=1S/C25H30N4O4S/c1-17-10-11-23(33-4)22(16-17)26-25(30)20-12-14-28(15-13-20)34(31,32)24-18(2)27-29(19(24)3)21-8-6-5-7-9-21/h5-11,16,20H,12-15H2,1-4H3,(H,26,30)
InChIKeyXHFLUFDPBYPLAF-UHFFFAOYSA-N
XLogP3.85
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 53075955
N-(2-methoxy-5-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26414036
N-(3-chloro-4-methylphenyl)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53075988
N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 53075975
N-(3-acetylphenyl)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53076000
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 1088323
N-(2-methoxy-5-methylphenyl)-1-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
CID 46351488
N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851619
1-(benzenesulfonyl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 2985320
N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007617
1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 31287920

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide (CID 53076020) is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide is COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?
The InChIKey is XHFLUFDPBYPLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-17-10-11-23(33-4)22(16-17)26-25(30)20-12-14-28(15-13-20)34(31,32)24-18(2)27-29(19(24)3)21-8-6-5-7-9-21/h5-11,16,20H,12-15H2,1-4H3,(H,26,30).
What are the key properties of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53076020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).