2-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]acetamide

C21H19Cl2N3O4S — CID 39248472

IUPAC2-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
SMILESCOc1ncccc1CNC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C21H19Cl2N3O4S/c1-30-21-15(3-2-8-24-21)13-25-20(27)9-14-4-6-18(7-5-14)26-31(28,29)19-11-16(22)10-17(23)12-19/h2-8,10-12,26H,9,13H2,1H3,(H,25,27)
InChIKeyREYAWFSPGWMGQV-UHFFFAOYSA-N
MW480.37 g/mol
LogP4.06
Rot. Bonds8

About 2-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]acetamide

2-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]acetamide (PubChem CID 39248472) has the molecular formula C21H19Cl2N3O4S and a molecular weight of 480.37 g/mol. Its IUPAC name is 2-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
PubChem CID39248472
Molecular FormulaC21H19Cl2N3O4S
Molecular Weight480.37 g/mol
Exact Mass479.05
IUPAC Name2-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
SMILESCOc1ncccc1CNC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C21H19Cl2N3O4S/c1-30-21-15(3-2-8-24-21)13-25-20(27)9-14-4-6-18(7-5-14)26-31(28,29)19-11-16(22)10-17(23)12-19/h2-8,10-12,26H,9,13H2,1H3,(H,25,27)
InChIKeyREYAWFSPGWMGQV-UHFFFAOYSA-N
XLogP4.06
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 37486176
2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485449
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 37484665
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60859308
4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 55980866
3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38535689
2-(2,4-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485782
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38533028
4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]butanamide
CID 79204552
4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 55848317
3-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 39248461
N-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 37485309

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]acetamide (CID 39248472) is 2-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]acetamide is COc1ncccc1CNC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 2-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
The InChIKey is REYAWFSPGWMGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O4S/c1-30-21-15(3-2-8-24-21)13-25-20(27)9-14-4-6-18(7-5-14)26-31(28,29)19-11-16(22)10-17(23)12-19/h2-8,10-12,26H,9,13H2,1H3,(H,25,27).
What are the key properties of 2-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
2-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]acetamide has a molecular weight of 480.37 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methoxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 39248472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).