N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-2-pyridin-4-ylacetamide

C22H21Cl2N3O4S — CID 45483389

IUPACN-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-2-pyridin-4-ylacetamide
SMILESCN(c1ccc(NC(=O)Cc2ccncc2)cc1OCc1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C22H21Cl2N3O4S/c1-27(32(2,29)30)20-6-4-18(26-22(28)11-15-7-9-25-10-8-15)13-21(20)31-14-16-12-17(23)3-5-19(16)24/h3-10,12-13H,11,14H2,1-2H3,(H,26,28)
InChIKeyZMHZPZXVSJQIFP-UHFFFAOYSA-N
MW494.40 g/mol
LogP4.54
Rot. Bonds8

About N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-2-pyridin-4-ylacetamide

N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-2-pyridin-4-ylacetamide (PubChem CID 45483389) has the molecular formula C22H21Cl2N3O4S and a molecular weight of 494.40 g/mol. Its IUPAC name is N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-2-pyridin-4-ylacetamide
PubChem CID45483389
Molecular FormulaC22H21Cl2N3O4S
Molecular Weight494.40 g/mol
Exact Mass493.06
IUPAC NameN-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-2-pyridin-4-ylacetamide
SMILESCN(c1ccc(NC(=O)Cc2ccncc2)cc1OCc1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C22H21Cl2N3O4S/c1-27(32(2,29)30)20-6-4-18(26-22(28)11-15-7-9-25-10-8-15)13-21(20)31-14-16-12-17(23)3-5-19(16)24/h3-10,12-13H,11,14H2,1-2H3,(H,26,28)
InChIKeyZMHZPZXVSJQIFP-UHFFFAOYSA-N
XLogP4.54
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 38628569
N-(3-chloro-4-hydroxyphenyl)-2-pyridin-4-ylacetamide
CID 64787327
N-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]prop-2-enamide
CID 167449588
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide
CID 56969934
N-[3-[(2,5-dichlorophenyl)methoxy]-4-(methylsulfonylmethylamino)phenyl]naphthalene-2-carboxamide
CID 67282333
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 1098011
3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide
CID 55682810
N-(3,4-dimethylphenyl)-2-pyridin-4-ylacetamide
CID 110697303
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788537
N-(5-chloro-2-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100787113
N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 2175101
2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 46799156

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-2-pyridin-4-ylacetamide (CID 45483389) is N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-2-pyridin-4-ylacetamide is CN(c1ccc(NC(=O)Cc2ccncc2)cc1OCc1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-2-pyridin-4-ylacetamide?
The InChIKey is ZMHZPZXVSJQIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O4S/c1-27(32(2,29)30)20-6-4-18(26-22(28)11-15-7-9-25-10-8-15)13-21(20)31-14-16-12-17(23)3-5-19(16)24/h3-10,12-13H,11,14H2,1-2H3,(H,26,28).
What are the key properties of N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-2-pyridin-4-ylacetamide?
N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-2-pyridin-4-ylacetamide has a molecular weight of 494.40 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 45483389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).