N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C24H28N4O3S — CID 55600239

IUPACN-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cccc(Cn2nccc2NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)c1
InChIInChI=1S/C24H28N4O3S/c1-18-7-5-9-20(15-18)17-27-23(12-13-25-27)26-24(29)21-10-6-11-22(16-21)32(30,31)28-14-4-3-8-19(28)2/h5-7,9-13,15-16,19H,3-4,8,14,17H2,1-2H3,(H,26,29)
InChIKeyVWKXFYMKYPHBCT-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.06
Rot. Bonds6

About N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55600239) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55600239
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cccc(Cn2nccc2NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)c1
InChIInChI=1S/C24H28N4O3S/c1-18-7-5-9-20(15-18)17-27-23(12-13-25-27)26-24(29)21-10-6-11-22(16-21)32(30,31)28-14-4-3-8-19(28)2/h5-7,9-13,15-16,19H,3-4,8,14,17H2,1-2H3,(H,26,29)
InChIKeyVWKXFYMKYPHBCT-UHFFFAOYSA-N
XLogP4.06
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55359546
3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085937
N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9411283
N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 26200344
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55707761
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide
CID 9227506
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112805830
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 86950492
N-(5-chloro-2-methylphenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8502363
N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119516218
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55600239) is N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is Cc1cccc(Cn2nccc2NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)c1.
What is the InChIKey of N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is VWKXFYMKYPHBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-18-7-5-9-20(15-18)17-27-23(12-13-25-27)26-24(29)21-10-6-11-22(16-21)32(30,31)28-14-4-3-8-19(28)2/h5-7,9-13,15-16,19H,3-4,8,14,17H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 452.58 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55600239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).