N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide

C22H20Cl2N2O5S — CID 4796152

IUPACN-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H20Cl2N2O5S/c1-14-3-10-19(20(11-14)30-2)31-13-22(27)25-17-8-9-18(24)21(12-17)32(28,29)26-16-6-4-15(23)5-7-16/h3-12,26H,13H2,1-2H3,(H,25,27)
InChIKeySPDYFPKPSSRVHL-UHFFFAOYSA-N
MW495.38 g/mol
LogP5.13
Rot. Bonds8

About N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide

N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 4796152) has the molecular formula C22H20Cl2N2O5S and a molecular weight of 495.38 g/mol. Its IUPAC name is N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID4796152
Molecular FormulaC22H20Cl2N2O5S
Molecular Weight495.38 g/mol
Exact Mass494.05
IUPAC NameN-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H20Cl2N2O5S/c1-14-3-10-19(20(11-14)30-2)31-13-22(27)25-17-8-9-18(24)21(12-17)32(28,29)26-16-6-4-15(23)5-7-16/h3-12,26H,13H2,1-2H3,(H,25,27)
InChIKeySPDYFPKPSSRVHL-UHFFFAOYSA-N
XLogP5.13
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.38
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 3911593
N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 126393662
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18166231
2-(2-chloro-5-methylphenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 7642767
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide
CID 9474134
N-(3-chloro-4-methoxyphenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7695455
N-[5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 31814804
2-(2-fluorophenoxy)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3279228
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 26642028
2-[2-chloro-4-[(4-chloroanilino)methyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4553213

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide (CID 4796152) is N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide is COc1cc(C)ccc1OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is SPDYFPKPSSRVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O5S/c1-14-3-10-19(20(11-14)30-2)31-13-22(27)25-17-8-9-18(24)21(12-17)32(28,29)26-16-6-4-15(23)5-7-16/h3-12,26H,13H2,1-2H3,(H,25,27).
What are the key properties of N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 495.38 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 4796152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).