2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)acetamide

C23H23ClN2O4S — CID 3950574

IUPAC2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C23H23ClN2O4S/c1-17-8-11-20(12-9-17)31(28,29)26(15-18-6-4-3-5-7-18)16-23(27)25-19-10-13-22(30-2)21(24)14-19/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyXFBORMYXNVJFHJ-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.49
Rot. Bonds8

About 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)acetamide

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 3950574) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID3950574
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C23H23ClN2O4S/c1-17-8-11-20(12-9-17)31(28,29)26(15-18-6-4-3-5-7-18)16-23(27)25-19-10-13-22(30-2)21(24)14-19/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyXFBORMYXNVJFHJ-UHFFFAOYSA-N
XLogP4.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)acetamide (CID 3950574) is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl.
What is the InChIKey of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is XFBORMYXNVJFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-17-8-11-20(12-9-17)31(28,29)26(15-18-6-4-3-5-7-18)16-23(27)25-19-10-13-22(30-2)21(24)14-19/h3-14H,15-16H2,1-2H3,(H,25,27).
What are the key properties of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)acetamide?
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 458.97 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 3950574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).