3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-N-(2-pyrazol-1-ylethyl)benzamide

C18H22N4O3S — CID 72879691

IUPAC3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCC1=CCN(S(=O)(=O)c2cccc(C(=O)NCCn3cccn3)c2)CC1
InChIInChI=1S/C18H22N4O3S/c1-15-6-11-22(12-7-15)26(24,25)17-5-2-4-16(14-17)18(23)19-9-13-21-10-3-8-20-21/h2-6,8,10,14H,7,9,11-13H2,1H3,(H,19,23)
InChIKeyIPELERFIHLQABL-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.65
Rot. Bonds6

About 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-N-(2-pyrazol-1-ylethyl)benzamide

3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 72879691) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID72879691
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCC1=CCN(S(=O)(=O)c2cccc(C(=O)NCCn3cccn3)c2)CC1
InChIInChI=1S/C18H22N4O3S/c1-15-6-11-22(12-7-15)26(24,25)17-5-2-4-16(14-17)18(23)19-9-13-21-10-3-8-20-21/h2-6,8,10,14H,7,9,11-13H2,1H3,(H,19,23)
InChIKeyIPELERFIHLQABL-UHFFFAOYSA-N
XLogP1.65
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
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CID 70654733
N-Pyridin-3-ylmethyl-3-(pyrrolidine-1-sulfonyl)-benzamide
CID 683251
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16322478
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 16331978
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 25163291
3-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
CID 148291912
N-[1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 155554240
4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 7638262
N-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934738
N-(2-cyclohexylpyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide
CID 2095800
N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16323468

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-N-(2-pyrazol-1-ylethyl)benzamide (CID 72879691) is 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-N-(2-pyrazol-1-ylethyl)benzamide is CC1=CCN(S(=O)(=O)c2cccc(C(=O)NCCn3cccn3)c2)CC1.
What is the InChIKey of 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is IPELERFIHLQABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-15-6-11-22(12-7-15)26(24,25)17-5-2-4-16(14-17)18(23)19-9-13-21-10-3-8-20-21/h2-6,8,10,14H,7,9,11-13H2,1H3,(H,19,23).
What are the key properties of 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-N-(2-pyrazol-1-ylethyl)benzamide?
3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 374.47 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 72879691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).