N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide

C24H25ClN2O7S — CID 30221166

IUPACN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)S(C)(=O)=O)cc1OC
InChIInChI=1S/C24H25ClN2O7S/c1-31-20-7-5-6-8-22(20)34-19-11-9-16(25)13-18(19)26-24(28)15-27(35(4,29)30)17-10-12-21(32-2)23(14-17)33-3/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyFXNOBCAFTOFOGF-UHFFFAOYSA-N
MW520.99 g/mol
LogP4.56
Rot. Bonds10

About N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide

N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 30221166) has the molecular formula C24H25ClN2O7S and a molecular weight of 520.99 g/mol. Its IUPAC name is N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
PubChem CID30221166
Molecular FormulaC24H25ClN2O7S
Molecular Weight520.99 g/mol
Exact Mass520.11
IUPAC NameN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)S(C)(=O)=O)cc1OC
InChIInChI=1S/C24H25ClN2O7S/c1-31-20-7-5-6-8-22(20)34-19-11-9-16(25)13-18(19)26-24(28)15-27(35(4,29)30)17-10-12-21(32-2)23(14-17)33-3/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyFXNOBCAFTOFOGF-UHFFFAOYSA-N
XLogP4.56
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.99
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 30219478
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43895765
N-(5-chloro-2-methylphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 978401
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1107868
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 978398
N-(4-chlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1100013
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
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-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894679
N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
CID 21372830
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30221077

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide (CID 30221166) is N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide is COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is FXNOBCAFTOFOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O7S/c1-31-20-7-5-6-8-22(20)34-19-11-9-16(25)13-18(19)26-24(28)15-27(35(4,29)30)17-10-12-21(32-2)23(14-17)33-3/h5-14H,15H2,1-4H3,(H,26,28).
What are the key properties of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide?
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 520.99 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30221166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).