N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C26H32N4O4S — CID 55480396

IUPACN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2cc(C)cc(C)c2)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C26H32N4O4S/c1-17-12-18(2)14-22(13-17)30-25(15-19(3)28-30)27-26(31)21-9-10-23(34-5)24(16-21)35(32,33)29-11-7-6-8-20(29)4/h9-10,12-16,20H,6-8,11H2,1-5H3,(H,27,31)
InChIKeyPAZYGOCATUUODC-UHFFFAOYSA-N
MW496.63 g/mol
LogP4.62
Rot. Bonds6

About N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55480396) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55480396
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC NameN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2cc(C)cc(C)c2)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C26H32N4O4S/c1-17-12-18(2)14-22(13-17)30-25(15-19(3)28-30)27-26(31)21-9-10-23(34-5)24(16-21)35(32,33)29-11-7-6-8-20(29)4/h9-10,12-16,20H,6-8,11H2,1-5H3,(H,27,31)
InChIKeyPAZYGOCATUUODC-UHFFFAOYSA-N
XLogP4.62
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41101385
N-(3,5-dimethoxyphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46651292
N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4794100
N-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4799810
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7740772
4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 40647113
N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283
N-(2-chloro-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43009763
N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8839347
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112805830
4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 55496296
N-[(2,4-dimethylphenyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46590934

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55480396) is N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is COc1ccc(C(=O)Nc2cc(C)nn2-c2cc(C)cc(C)c2)cc1S(=O)(=O)N1CCCCC1C.
What is the InChIKey of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is PAZYGOCATUUODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-17-12-18(2)14-22(13-17)30-25(15-19(3)28-30)27-26(31)21-9-10-23(34-5)24(16-21)35(32,33)29-11-7-6-8-20(29)4/h9-10,12-16,20H,6-8,11H2,1-5H3,(H,27,31).
What are the key properties of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 496.63 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55480396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).