methyl 2-[[4-[(2-phenylphenyl)sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate

C22H19N3O6S — CID 19970399

IUPACmethyl 2-[[4-[(2-phenylphenyl)sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(C(=O)NS(=O)(=O)c2ccccc2-c2ccccc2)ccn1
InChIInChI=1S/C22H19N3O6S/c1-31-20(26)14-24-22(28)18-13-16(11-12-23-18)21(27)25-32(29,30)19-10-6-5-9-17(19)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,24,28)(H,25,27)
InChIKeyORYQSICOMKLGOM-UHFFFAOYSA-N
MW453.48 g/mol
LogP1.77
Rot. Bonds7

About methyl 2-[[4-[(2-phenylphenyl)sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate

methyl 2-[[4-[(2-phenylphenyl)sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate (PubChem CID 19970399) has the molecular formula C22H19N3O6S and a molecular weight of 453.48 g/mol. Its IUPAC name is methyl 2-[[4-[(2-phenylphenyl)sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[(2-phenylphenyl)sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
PubChem CID19970399
Molecular FormulaC22H19N3O6S
Molecular Weight453.48 g/mol
Exact Mass453.10
IUPAC Namemethyl 2-[[4-[(2-phenylphenyl)sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(C(=O)NS(=O)(=O)c2ccccc2-c2ccccc2)ccn1
InChIInChI=1S/C22H19N3O6S/c1-31-20(26)14-24-22(28)18-13-16(11-12-23-18)21(27)25-32(29,30)19-10-6-5-9-17(19)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,24,28)(H,25,27)
InChIKeyORYQSICOMKLGOM-UHFFFAOYSA-N
XLogP1.77
TPSA131.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 2575978
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 3712018
(S)-N-(1-((4-(N-(tert-Butyl)sulfamoyl)phenyl)amino)-1-oxo-3-phenylpropan-2-yl)picolinamide
CID 146014130
4-({[(2,5-dimethylphenyl)sulfonyl]amino}methyl)-N-(2-pyridinylmethyl)benzamide
CID 984361
3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 4782429
3-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
CID 9414558
N-[(4-methylphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide
CID 16021301
1-methyl-4-morpholin-4-ylsulfonyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 22519089
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519090
N-{[4-(dimethylamino)phenyl]methyl}-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
CID 22519131
1-Methyl-N-[(3-methylphenyl)methyl]-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
CID 22576666
5-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-2-carboxamide
CID 155524685

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(2-phenylphenyl)sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[(2-phenylphenyl)sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate (CID 19970399) is methyl 2-[[4-[(2-phenylphenyl)sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[(2-phenylphenyl)sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[(2-phenylphenyl)sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate is COC(=O)CNC(=O)c1cc(C(=O)NS(=O)(=O)c2ccccc2-c2ccccc2)ccn1.
What is the InChIKey of methyl 2-[[4-[(2-phenylphenyl)sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate?
The InChIKey is ORYQSICOMKLGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O6S/c1-31-20(26)14-24-22(28)18-13-16(11-12-23-18)21(27)25-32(29,30)19-10-6-5-9-17(19)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,24,28)(H,25,27).
What are the key properties of methyl 2-[[4-[(2-phenylphenyl)sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate?
methyl 2-[[4-[(2-phenylphenyl)sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate has a molecular weight of 453.48 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(2-phenylphenyl)sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 19970399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).