2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide

C23H23ClN2O6S — CID 24979797

IUPAC2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1OC
InChIInChI=1S/C23H23ClN2O6S/c1-26(33(28,29)20-11-4-16(24)5-12-20)18-7-9-19(10-8-18)32-15-23(27)25-17-6-13-21(30-2)22(14-17)31-3/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyKCEMYSVFROXCSP-UHFFFAOYSA-N
MW490.97 g/mol
LogP4.20
Rot. Bonds9

About 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide

2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 24979797) has the molecular formula C23H23ClN2O6S and a molecular weight of 490.97 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID24979797
Molecular FormulaC23H23ClN2O6S
Molecular Weight490.97 g/mol
Exact Mass490.10
IUPAC Name2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1OC
InChIInChI=1S/C23H23ClN2O6S/c1-26(33(28,29)20-11-4-16(24)5-12-20)18-7-9-19(10-8-18)32-15-23(27)25-17-6-13-21(30-2)22(14-17)31-3/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyKCEMYSVFROXCSP-UHFFFAOYSA-N
XLogP4.20
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide (CID 24979797) is 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1OC.
What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is KCEMYSVFROXCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O6S/c1-26(33(28,29)20-11-4-16(24)5-12-20)18-7-9-19(10-8-18)32-15-23(27)25-17-6-13-21(30-2)22(14-17)31-3/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide?
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 490.97 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 24979797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).