2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)acetamide

C24H25ClN2O5S — CID 1078982

IUPAC2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2C)Cc2ccccc2)cc1OC
InChIInChI=1S/C24H25ClN2O5S/c1-17-9-10-19(25)13-21(17)26-24(28)16-27(15-18-7-5-4-6-8-18)33(29,30)20-11-12-22(31-2)23(14-20)32-3/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeySYECWZZALHBLFG-UHFFFAOYSA-N
MW488.99 g/mol
LogP4.50
Rot. Bonds9

About 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)acetamide

2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 1078982) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID1078982
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC Name2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2C)Cc2ccccc2)cc1OC
InChIInChI=1S/C24H25ClN2O5S/c1-17-9-10-19(25)13-21(17)26-24(28)16-27(15-18-7-5-4-6-8-18)33(29,30)20-11-12-22(31-2)23(14-20)32-3/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeySYECWZZALHBLFG-UHFFFAOYSA-N
XLogP4.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)acetamide (CID 1078982) is 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2C)Cc2ccccc2)cc1OC.
What is the InChIKey of 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is SYECWZZALHBLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-17-9-10-19(25)13-21(17)26-24(28)16-27(15-18-7-5-4-6-8-18)33(29,30)20-11-12-22(31-2)23(14-20)32-3/h4-14H,15-16H2,1-3H3,(H,26,28).
What are the key properties of 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)acetamide?
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 488.99 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 1078982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).