2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide

C22H19ClN4O4S — CID 46428401

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN4O4S/c1-15-12-18(31-22-16(13-24)4-3-11-25-22)7-10-20(15)26-21(28)14-27(2)32(29,30)19-8-5-17(23)6-9-19/h3-12H,14H2,1-2H3,(H,26,28)
InChIKeyLIUQRNSHUFOKIO-UHFFFAOYSA-N
MW470.94 g/mol
LogP3.97
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide (PubChem CID 46428401) has the molecular formula C22H19ClN4O4S and a molecular weight of 470.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide
PubChem CID46428401
Molecular FormulaC22H19ClN4O4S
Molecular Weight470.94 g/mol
Exact Mass470.08
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN4O4S/c1-15-12-18(31-22-16(13-24)4-3-11-25-22)7-10-20(15)26-21(28)14-27(2)32(29,30)19-8-5-17(23)6-9-19/h3-12H,14H2,1-2H3,(H,26,28)
InChIKeyLIUQRNSHUFOKIO-UHFFFAOYSA-N
XLogP3.97
TPSA112.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.94
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide with MolForge

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Related Compounds

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4,4,4-trifluorobutanamide
CID 122142915
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide
CID 55763946
3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
CID 55763808
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide
CID 55647504
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(2-fluorophenyl)propanamide
CID 55764183
5-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide
CID 55896349
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
CID 56514342
5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide
CID 55763912
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(2-ethoxyphenyl)propanamide
CID 46485355
N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55930783
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide
CID 46485325
5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide
CID 71934594

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide (CID 46428401) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide is Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide?
The InChIKey is LIUQRNSHUFOKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O4S/c1-15-12-18(31-22-16(13-24)4-3-11-25-22)7-10-20(15)26-21(28)14-27(2)32(29,30)19-8-5-17(23)6-9-19/h3-12H,14H2,1-2H3,(H,26,28).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide has a molecular weight of 470.94 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide is sourced from PubChem (CID 46428401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).