N-[1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidin-4-yl]benzenesulfonamide

C23H34N4O3S — CID 33163292

IUPACN-[1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H34N4O3S/c1-17(2)16-27-19(4)22(18(3)24-27)10-11-23(28)26-14-12-20(13-15-26)25-31(29,30)21-8-6-5-7-9-21/h5-9,17,20,25H,10-16H2,1-4H3
InChIKeyFFKYPOBRXOMUNN-UHFFFAOYSA-N
MW446.62 g/mol
LogP3.06
Rot. Bonds8

About N-[1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidin-4-yl]benzenesulfonamide

N-[1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 33163292) has the molecular formula C23H34N4O3S and a molecular weight of 446.62 g/mol. Its IUPAC name is N-[1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidin-4-yl]benzenesulfonamide
PubChem CID33163292
Molecular FormulaC23H34N4O3S
Molecular Weight446.62 g/mol
Exact Mass446.24
IUPAC NameN-[1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H34N4O3S/c1-17(2)16-27-19(4)22(18(3)24-27)10-11-23(28)26-14-12-20(13-15-26)25-31(29,30)21-8-6-5-7-9-21/h5-9,17,20,25H,10-16H2,1-4H3
InChIKeyFFKYPOBRXOMUNN-UHFFFAOYSA-N
XLogP3.06
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 119624181
1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 112800664
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-piperazin-1-ylpropan-1-one
CID 119402581
1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 86936560
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 37322712
4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566073
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 24655557
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 55427240
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propan-1-one
CID 51926980
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 134010213
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 124687726

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidin-4-yl]benzenesulfonamide (CID 33163292) is N-[1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidin-4-yl]benzenesulfonamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is FFKYPOBRXOMUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3S/c1-17(2)16-27-19(4)22(18(3)24-27)10-11-23(28)26-14-12-20(13-15-26)25-31(29,30)21-8-6-5-7-9-21/h5-9,17,20,25H,10-16H2,1-4H3.
What are the key properties of N-[1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidin-4-yl]benzenesulfonamide?
N-[1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 446.62 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 33163292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).