2-[3-chloro-5-[(2-methylphenyl)sulfonylamino]phenoxy]-N-pyridin-4-ylacetamide

C20H18ClN3O4S — CID 67619034

IUPAC2-[3-chloro-5-[(2-methylphenyl)sulfonylamino]phenoxy]-N-pyridin-4-ylacetamide
SMILESCc1ccccc1S(=O)(=O)Nc1cc(Cl)cc(OCC(=O)Nc2ccncc2)c1
InChIInChI=1S/C20H18ClN3O4S/c1-14-4-2-3-5-19(14)29(26,27)24-17-10-15(21)11-18(12-17)28-13-20(25)23-16-6-8-22-9-7-16/h2-12,24H,13H2,1H3,(H,22,23,25)
InChIKeyJZVFTMYYUNLFEM-UHFFFAOYSA-N
MW431.90 g/mol
LogP3.86
Rot. Bonds7

About 2-[3-chloro-5-[(2-methylphenyl)sulfonylamino]phenoxy]-N-pyridin-4-ylacetamide

2-[3-chloro-5-[(2-methylphenyl)sulfonylamino]phenoxy]-N-pyridin-4-ylacetamide (PubChem CID 67619034) has the molecular formula C20H18ClN3O4S and a molecular weight of 431.90 g/mol. Its IUPAC name is 2-[3-chloro-5-[(2-methylphenyl)sulfonylamino]phenoxy]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[3-chloro-5-[(2-methylphenyl)sulfonylamino]phenoxy]-N-pyridin-4-ylacetamide
PubChem CID67619034
Molecular FormulaC20H18ClN3O4S
Molecular Weight431.90 g/mol
Exact Mass431.07
IUPAC Name2-[3-chloro-5-[(2-methylphenyl)sulfonylamino]phenoxy]-N-pyridin-4-ylacetamide
SMILESCc1ccccc1S(=O)(=O)Nc1cc(Cl)cc(OCC(=O)Nc2ccncc2)c1
InChIInChI=1S/C20H18ClN3O4S/c1-14-4-2-3-5-19(14)29(26,27)24-17-10-15(21)11-18(12-17)28-13-20(25)23-16-6-8-22-9-7-16/h2-12,24H,13H2,1H3,(H,22,23,25)
InChIKeyJZVFTMYYUNLFEM-UHFFFAOYSA-N
XLogP3.86
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenoxy)-N-pyridin-4-ylacetamide
CID 1101312
2-[3-[(2-benzylphenyl)sulfonylamino]-5-chlorophenoxy]acetic acid
CID 67621095
2-(2-ethoxyphenoxy)-N-pyridin-4-ylacetamide
CID 78802593
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
2-(2-chlorophenoxy)-N-pyridin-4-ylacetamide
CID 21229438
2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26642497
2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide
CID 75422770
2-chloro-N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide
CID 23206359
2-naphthalen-2-yloxy-N-pyridin-4-ylacetamide
CID 823638
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851
N-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide
CID 54519091

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-[(2-methylphenyl)sulfonylamino]phenoxy]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[3-chloro-5-[(2-methylphenyl)sulfonylamino]phenoxy]-N-pyridin-4-ylacetamide (CID 67619034) is 2-[3-chloro-5-[(2-methylphenyl)sulfonylamino]phenoxy]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[3-chloro-5-[(2-methylphenyl)sulfonylamino]phenoxy]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[3-chloro-5-[(2-methylphenyl)sulfonylamino]phenoxy]-N-pyridin-4-ylacetamide is Cc1ccccc1S(=O)(=O)Nc1cc(Cl)cc(OCC(=O)Nc2ccncc2)c1.
What is the InChIKey of 2-[3-chloro-5-[(2-methylphenyl)sulfonylamino]phenoxy]-N-pyridin-4-ylacetamide?
The InChIKey is JZVFTMYYUNLFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4S/c1-14-4-2-3-5-19(14)29(26,27)24-17-10-15(21)11-18(12-17)28-13-20(25)23-16-6-8-22-9-7-16/h2-12,24H,13H2,1H3,(H,22,23,25).
What are the key properties of 2-[3-chloro-5-[(2-methylphenyl)sulfonylamino]phenoxy]-N-pyridin-4-ylacetamide?
2-[3-chloro-5-[(2-methylphenyl)sulfonylamino]phenoxy]-N-pyridin-4-ylacetamide has a molecular weight of 431.90 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-[(2-methylphenyl)sulfonylamino]phenoxy]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 67619034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).