N-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide

C21H30N4O3S — CID 55674727

IUPACN-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
SMILESCCCCn1nccc1NC(=O)c1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C21H30N4O3S/c1-4-5-12-25-20(10-11-22-25)23-21(26)18-6-8-19(9-7-18)29(27,28)24-14-16(2)13-17(3)15-24/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,23,26)
InChIKeyOLSGLTVFJXVEPO-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.60
Rot. Bonds7

About N-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide

N-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55674727) has the molecular formula C21H30N4O3S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55674727
Molecular FormulaC21H30N4O3S
Molecular Weight418.56 g/mol
Exact Mass418.20
IUPAC NameN-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
SMILESCCCCn1nccc1NC(=O)c1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C21H30N4O3S/c1-4-5-12-25-20(10-11-22-25)23-21(26)18-6-8-19(9-7-18)29(27,28)24-14-16(2)13-17(3)15-24/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,23,26)
InChIKeyOLSGLTVFJXVEPO-UHFFFAOYSA-N
XLogP3.60
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-butylpyrazol-3-yl)benzamide
CID 55674641
N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 9414256
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2155593
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-ethoxyphenyl)benzamide
CID 4557243
N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide
CID 78864779
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 2358996
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 5207549
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide
CID 2623059
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2051172
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2155651
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 75815245

Frequently Asked Questions

What is the IUPAC name of N-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide (CID 55674727) is N-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide is CCCCn1nccc1NC(=O)c1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1.
What is the InChIKey of N-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is OLSGLTVFJXVEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S/c1-4-5-12-25-20(10-11-22-25)23-21(26)18-6-8-19(9-7-18)29(27,28)24-14-16(2)13-17(3)15-24/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,23,26).
What are the key properties of N-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
N-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 418.56 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55674727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).