3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide

C20H19N3O4S — CID 9414554

IUPAC3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccccn3)c2)cc1
InChIInChI=1S/C20H19N3O4S/c1-27-18-10-8-16(9-11-18)23-28(25,26)19-7-4-5-15(13-19)20(24)22-14-17-6-2-3-12-21-17/h2-13,23H,14H2,1H3,(H,22,24)
InChIKeyMYYJNTKXTCZKSC-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.82
Rot. Bonds7

About 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide

3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 9414554) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID9414554
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccccn3)c2)cc1
InChIInChI=1S/C20H19N3O4S/c1-27-18-10-8-16(9-11-18)23-28(25,26)19-7-4-5-15(13-19)20(24)22-14-17-6-2-3-12-21-17/h2-13,23H,14H2,1H3,(H,22,24)
InChIKeyMYYJNTKXTCZKSC-UHFFFAOYSA-N
XLogP2.82
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Way-151693
CID 4368
N-(1-(4-Methoxyphenylsulfonyl)-2,3-dihydro-1H-indol-7-yl)isonicotinamide
CID 16215971
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
N-[2-[3-[[2-methoxy-5-[3-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]phenyl]sulfonylamino]anilino]ethyl]-3-methylbenzamide
CID 166633833
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-3-yl)propanamide
CID 23648324
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-4-yl)propanamide
CID 23648325
1-(4-methoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2983927
N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2984987
2-(4-Methoxy-3-methyl-benzenesulfonylamino)-N-pyridin-4-ylmethyl-propionamide
CID 2988175
N-(6-methoxy-3-pyridinyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2334703
6-chloro-N-{3-[(4-methoxyphenyl)sulfamoyl]phenyl}pyridine-3-carboxamide
CID 3248530
4-Methoxy-benzenesulfonic acid 2-[(pyridine-4-carbonyl)-amino]-phenyl ester
CID 9977312

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (CID 9414554) is 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccccn3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is MYYJNTKXTCZKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-27-18-10-8-16(9-11-18)23-28(25,26)19-7-4-5-15(13-19)20(24)22-14-17-6-2-3-12-21-17/h2-13,23H,14H2,1H3,(H,22,24).
What are the key properties of 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 397.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 9414554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).