4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide

C23H25N3O4S — CID 41029646

IUPAC4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccc3cccnc23)cc1S(=O)(=O)N1CCCC[C@H]1C
InChIInChI=1S/C23H25N3O4S/c1-16-7-3-4-14-26(16)31(28,29)21-15-18(11-12-20(21)30-2)23(27)25-19-10-5-8-17-9-6-13-24-22(17)19/h5-6,8-13,15-16H,3-4,7,14H2,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyXSQQMUYEZYWFIG-MRXNPFEDSA-N
MW439.54 g/mol
LogP4.06
Rot. Bonds5

About 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide

4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide (PubChem CID 41029646) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide
PubChem CID41029646
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccc3cccnc23)cc1S(=O)(=O)N1CCCC[C@H]1C
InChIInChI=1S/C23H25N3O4S/c1-16-7-3-4-14-26(16)31(28,29)21-15-18(11-12-20(21)30-2)23(27)25-19-10-5-8-17-9-6-13-24-22(17)19/h5-6,8-13,15-16H,3-4,7,14H2,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyXSQQMUYEZYWFIG-MRXNPFEDSA-N
XLogP4.06
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide 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-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4799810
N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8839347
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7740772
4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 46696547
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
4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 40647113
N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4794100
N-(2-chloro-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43009763
N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283
4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 55496296
N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24685961

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide?
The IUPAC name of 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide (CID 41029646) is 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide?
The canonical SMILES for 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide is COc1ccc(C(=O)Nc2cccc3cccnc23)cc1S(=O)(=O)N1CCCC[C@H]1C.
What is the InChIKey of 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide?
The InChIKey is XSQQMUYEZYWFIG-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-16-7-3-4-14-26(16)31(28,29)21-15-18(11-12-20(21)30-2)23(27)25-19-10-5-8-17-9-6-13-24-22(17)19/h5-6,8-13,15-16H,3-4,7,14H2,1-2H3,(H,25,27)/t16-/m1/s1.
What are the key properties of 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide?
4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide has a molecular weight of 439.54 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 41029646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).