N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide

C28H24ClFN2O5S — CID 43894679

IUPACN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1Oc1ccc(Cl)cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C28H24ClFN2O5S/c1-19-7-14-23(15-8-19)38(34,35)32(22-12-10-21(30)11-13-22)18-28(33)31-24-17-20(29)9-16-25(24)37-27-6-4-3-5-26(27)36-2/h3-17H,18H2,1-2H3,(H,31,33)
InChIKeyHAZGFNATYBABBZ-UHFFFAOYSA-N
MW555.03 g/mol
LogP6.42
Rot. Bonds9

About N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 43894679) has the molecular formula C28H24ClFN2O5S and a molecular weight of 555.03 g/mol. Its IUPAC name is N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID43894679
Molecular FormulaC28H24ClFN2O5S
Molecular Weight555.03 g/mol
Exact Mass554.11
IUPAC NameN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1Oc1ccc(Cl)cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C28H24ClFN2O5S/c1-19-7-14-23(15-8-19)38(34,35)32(22-12-10-21(30)11-13-22)18-28(33)31-24-17-20(29)9-16-25(24)37-27-6-4-3-5-26(27)36-2/h3-17H,18H2,1-2H3,(H,31,33)
InChIKeyHAZGFNATYBABBZ-UHFFFAOYSA-N
XLogP6.42
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.03
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43893859
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894011
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894783
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1103809
N-(5-chloro-2-methoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 22193652
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894877
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43893894
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)acetamide
CID 43896718
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43897299
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1338618
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 30264956
N-(5-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 1006755

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 43894679) is N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccccc1Oc1ccc(Cl)cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is HAZGFNATYBABBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN2O5S/c1-19-7-14-23(15-8-19)38(34,35)32(22-12-10-21(30)11-13-22)18-28(33)31-24-17-20(29)9-16-25(24)37-27-6-4-3-5-26(27)36-2/h3-17H,18H2,1-2H3,(H,31,33).
What are the key properties of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 555.03 g/mol, XLogP of 6.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 43894679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).