3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide

C26H30N4O4S — CID 55496293

IUPAC3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C26H30N4O4S/c1-29(19-20-9-5-3-6-10-20)35(32,33)24-17-21(11-13-23(24)34-2)26(31)28-22-12-14-25(27-18-22)30-15-7-4-8-16-30/h3,5-6,9-14,17-18H,4,7-8,15-16,19H2,1-2H3,(H,28,31)
InChIKeyFOEHSLYVVXWZPF-UHFFFAOYSA-N
MW494.62 g/mol
LogP4.15
Rot. Bonds8

About 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide

3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide (PubChem CID 55496293) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
PubChem CID55496293
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC Name3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C26H30N4O4S/c1-29(19-20-9-5-3-6-10-20)35(32,33)24-17-21(11-13-23(24)34-2)26(31)28-22-12-14-25(27-18-22)30-15-7-4-8-16-30/h3,5-6,9-14,17-18H,4,7-8,15-16,19H2,1-2H3,(H,28,31)
InChIKeyFOEHSLYVVXWZPF-UHFFFAOYSA-N
XLogP4.15
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 55496296
3-(azepan-1-ylsulfonyl)-4-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 24590411
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55489776
4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 24610746
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 51957951
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113015910
3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide
CID 55361577
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119503968
3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 40984734
N-(6-piperidin-1-yl-3-pyridinyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17446568

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide (CID 55496293) is 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide is COc1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide?
The InChIKey is FOEHSLYVVXWZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-29(19-20-9-5-3-6-10-20)35(32,33)24-17-21(11-13-23(24)34-2)26(31)28-22-12-14-25(27-18-22)30-15-7-4-8-16-30/h3,5-6,9-14,17-18H,4,7-8,15-16,19H2,1-2H3,(H,28,31).
What are the key properties of 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide?
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide has a molecular weight of 494.62 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 55496293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).