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

C28H24ClFN2O6S — CID 43901440

IUPACN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)c2ccccc2F)cc1
InChIInChI=1S/C28H24ClFN2O6S/c1-36-20-12-14-21(15-13-20)39(34,35)32(24-8-4-3-7-22(24)30)18-28(33)31-23-17-19(29)11-16-25(23)38-27-10-6-5-9-26(27)37-2/h3-17H,18H2,1-2H3,(H,31,33)
InChIKeyVTGUCXJBQSKBQL-UHFFFAOYSA-N
MW571.03 g/mol
LogP6.12
Rot. Bonds10

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

N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide (PubChem CID 43901440) has the molecular formula C28H24ClFN2O6S and a molecular weight of 571.03 g/mol. Its IUPAC name is N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
PubChem CID43901440
Molecular FormulaC28H24ClFN2O6S
Molecular Weight571.03 g/mol
Exact Mass570.10
IUPAC NameN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)c2ccccc2F)cc1
InChIInChI=1S/C28H24ClFN2O6S/c1-36-20-12-14-21(15-13-20)39(34,35)32(24-8-4-3-7-22(24)30)18-28(33)31-23-17-19(29)11-16-25(23)38-27-10-6-5-9-26(27)37-2/h3-17H,18H2,1-2H3,(H,31,33)
InChIKeyVTGUCXJBQSKBQL-UHFFFAOYSA-N
XLogP6.12
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.03
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894783
N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1363111
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894679
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-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894877
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]acetamide
CID 43893000
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43897299
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894011
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 29284468
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-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)acetamide
CID 43896718
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 30264759

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide (CID 43901440) is N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)c2ccccc2F)cc1.
What is the InChIKey of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is VTGUCXJBQSKBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN2O6S/c1-36-20-12-14-21(15-13-20)39(34,35)32(24-8-4-3-7-22(24)30)18-28(33)31-23-17-19(29)11-16-25(23)38-27-10-6-5-9-26(27)37-2/h3-17H,18H2,1-2H3,(H,31,33).
What are the key properties of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 571.03 g/mol, XLogP of 6.12, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 43901440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).