2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide

C21H20ClN3O4S — CID 2334814

IUPAC2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(c1ccc(OCC(=O)NCc2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H20ClN3O4S/c1-25(30(27,28)20-10-4-17(22)5-11-20)18-6-8-19(9-7-18)29-15-21(26)24-14-16-3-2-12-23-13-16/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyKJOCRFXUXCBIGT-UHFFFAOYSA-N
MW445.93 g/mol
LogP3.26
Rot. Bonds8

About 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide

2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 2334814) has the molecular formula C21H20ClN3O4S and a molecular weight of 445.93 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID2334814
Molecular FormulaC21H20ClN3O4S
Molecular Weight445.93 g/mol
Exact Mass445.09
IUPAC Name2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(c1ccc(OCC(=O)NCc2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H20ClN3O4S/c1-25(30(27,28)20-10-4-17(22)5-11-20)18-6-8-19(9-7-18)29-15-21(26)24-14-16-3-2-12-23-13-16/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyKJOCRFXUXCBIGT-UHFFFAOYSA-N
XLogP3.26
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-{3-[(4-methoxyphenyl)sulfamoyl]phenyl}pyridine-3-carboxamide
CID 3248530
2-(3-chlorophenoxy)-N-(1-((1-(4-(trifluoromethoxy)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)acetamide
CID 11511776
2-(3-Chlorophenoxy)-n-(1-{[1-(4-methoxyphenyl)-1h-pyrrol-3-yl]methyl}piperidin-4-yl)acetamide
CID 11633862
2-(3-chlorophenoxy)-N-{1-[(1-phenyl-1H-pyrrol-3-yl)methyl]piperidin-4-yl}acetamide
CID 11676200
4-Chloro-N-{3-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide
CID 15227963
3-Chloro-N-methyl-N-phenyl-5-[2-(pyridin-4-ylamino)-ethoxy]-benzenesulfonamide
CID 23206211
2-(2-chlorophenyl)-N-[4-(pyridin-2-ylmethoxy)-3-sulfamoylphenyl]acetamide
CID 124125453
2-(2-chlorophenyl)-N-(4-pyridin-3-yloxy-3-sulfamoylphenyl)acetamide
CID 124125494
2-(4-sec-Butylsulfamoyl-phenoxy)-N-pyridin-3-ylmethyl-acetamide
CID 647393
2-{4-[(cyclohexylamino)sulfonyl]phenoxy}-N-(2-pyridinylmethyl)acetamide
CID 1084690
2-[(4-Ethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-N-pyridin-3-yl-acetamide
CID 1085939
2-[4-(Benzyl-methyl-sulfamoyl)-phenoxy]-N-pyridin-3-ylmethyl-acetamide
CID 1092926

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide (CID 2334814) is 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide is CN(c1ccc(OCC(=O)NCc2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is KJOCRFXUXCBIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S/c1-25(30(27,28)20-10-4-17(22)5-11-20)18-6-8-19(9-7-18)29-15-21(26)24-14-16-3-2-12-23-13-16/h2-13H,14-15H2,1H3,(H,24,26).
What are the key properties of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 445.93 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 2334814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).