4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide

C25H30N4O4S — CID 100585854

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1
InChIInChI=1S/C25H30N4O4S/c1-18-15-19(2)29(27-18)17-20-7-9-21(10-8-20)25(30)26-23-16-22(11-12-24(23)33-3)34(31,32)28-13-5-4-6-14-28/h7-12,15-16H,4-6,13-14,17H2,1-3H3,(H,26,30)
InChIKeyRALRAFIQLCLUSI-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.98
Rot. Bonds7

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 100585854) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID100585854
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1
InChIInChI=1S/C25H30N4O4S/c1-18-15-19(2)29(27-18)17-20-7-9-21(10-8-20)25(30)26-23-16-22(11-12-24(23)33-3)34(31,32)28-13-5-4-6-14-28/h7-12,15-16H,4-6,13-14,17H2,1-3H3,(H,26,30)
InChIKeyRALRAFIQLCLUSI-UHFFFAOYSA-N
XLogP3.98
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92682610
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 46769837
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 48980458
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3963997
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 26065836
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 92679944
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 4849595
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 28631793
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-methylphenyl)propanamide
CID 24555023

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide (CID 100585854) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is RALRAFIQLCLUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-18-15-19(2)29(27-18)17-20-7-9-21(10-8-20)25(30)26-23-16-22(11-12-24(23)33-3)34(31,32)28-13-5-4-6-14-28/h7-12,15-16H,4-6,13-14,17H2,1-3H3,(H,26,30).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 482.61 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 100585854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).