4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide

C26H32N4O3S — CID 95094259

IUPAC4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide
SMILESCc1nn(Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C26H32N4O3S/c1-19(23-10-6-4-7-11-23)27-26(31)24-14-12-22(13-15-24)18-30-21(3)25(20(2)28-30)34(32,33)29-16-8-5-9-17-29/h4,6-7,10-15,19H,5,8-9,16-18H2,1-3H3,(H,27,31)/t19-/m0/s1
InChIKeyGDPTWKDKFVLEAS-IBGZPJMESA-N
MW480.63 g/mol
LogP4.21
Rot. Bonds7

About 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide

4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 95094259) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID95094259
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC Name4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide
SMILESCc1nn(Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C26H32N4O3S/c1-19(23-10-6-4-7-11-23)27-26(31)24-14-12-22(13-15-24)18-30-21(3)25(20(2)28-30)34(32,33)29-16-8-5-9-17-29/h4,6-7,10-15,19H,5,8-9,16-18H2,1-3H3,(H,27,31)/t19-/m0/s1
InChIKeyGDPTWKDKFVLEAS-IBGZPJMESA-N
XLogP4.21
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-butan-2-ylbenzamide
CID 53139570
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide
CID 53139475
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 53139579
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-(2,3-dimethylphenyl)benzamide
CID 53139572
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide
CID 53139433
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 53139483
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-(3-ethylphenyl)benzamide
CID 53139585
N-(2,4-dimethylphenyl)-4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]benzamide
CID 53139440
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide
CID 43918790
1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine
CID 78827823
4-[[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methyl]-N-(2-methylphenyl)benzamide
CID 53139500
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
CID 53139563

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide (CID 95094259) is 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide is Cc1nn(Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)c(C)c1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is GDPTWKDKFVLEAS-IBGZPJMESA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-19(23-10-6-4-7-11-23)27-26(31)24-14-12-22(13-15-24)18-30-21(3)25(20(2)28-30)34(32,33)29-16-8-5-9-17-29/h4,6-7,10-15,19H,5,8-9,16-18H2,1-3H3,(H,27,31)/t19-/m0/s1.
What are the key properties of 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide?
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 480.63 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 95094259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).