4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide

C24H32N4O4S — CID 55496296

IUPAC4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C24H32N4O4S/c1-18-8-4-7-15-28(18)33(30,31)22-16-19(9-11-21(22)32-2)24(29)26-20-10-12-23(25-17-20)27-13-5-3-6-14-27/h9-12,16-18H,3-8,13-15H2,1-2H3,(H,26,29)
InChIKeyUHQUXWXBJZXIMA-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.90
Rot. Bonds6

About 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide

4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide (PubChem CID 55496296) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
PubChem CID55496296
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Name4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C24H32N4O4S/c1-18-8-4-7-15-28(18)33(30,31)22-16-19(9-11-21(22)32-2)24(29)26-20-10-12-23(25-17-20)27-13-5-3-6-14-27/h9-12,16-18H,3-8,13-15H2,1-2H3,(H,26,29)
InChIKeyUHQUXWXBJZXIMA-UHFFFAOYSA-N
XLogP3.90
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 40647113
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
3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 24590411
N-(3-chloro-4-fluorophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 2683094
N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24656097
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7740772
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 98397485
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 55496293
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26012135
N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide (CID 55496296) is 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide is COc1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc1S(=O)(=O)N1CCCCC1C.
What is the InChIKey of 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide?
The InChIKey is UHQUXWXBJZXIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-18-8-4-7-15-28(18)33(30,31)22-16-19(9-11-21(22)32-2)24(29)26-20-10-12-23(25-17-20)27-13-5-3-6-14-27/h9-12,16-18H,3-8,13-15H2,1-2H3,(H,26,29).
What are the key properties of 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide?
4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide has a molecular weight of 472.61 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 55496296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).