2-[(5-acetamido-2-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide

C24H25N3O5S — CID 4876833

IUPAC2-[(5-acetamido-2-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C24H25N3O5S/c1-17(28)26-19-12-13-22(32-2)23(16-19)33(30,31)27-21-11-7-6-10-20(21)24(29)25-15-14-18-8-4-3-5-9-18/h3-13,16,27H,14-15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyVWZOHHNNNBPFNK-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.43
Rot. Bonds9

About 2-[(5-acetamido-2-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide

2-[(5-acetamido-2-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide (PubChem CID 4876833) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 2-[(5-acetamido-2-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[(5-acetamido-2-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
PubChem CID4876833
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name2-[(5-acetamido-2-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C24H25N3O5S/c1-17(28)26-19-12-13-22(32-2)23(16-19)33(30,31)27-21-11-7-6-10-20(21)24(29)25-15-14-18-8-4-3-5-9-18/h3-13,16,27H,14-15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyVWZOHHNNNBPFNK-UHFFFAOYSA-N
XLogP3.43
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetamido-2-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[(5-acetamido-2-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide (CID 4876833) is 2-[(5-acetamido-2-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[(5-acetamido-2-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[(5-acetamido-2-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide is COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[(5-acetamido-2-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The InChIKey is VWZOHHNNNBPFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-17(28)26-19-12-13-22(32-2)23(16-19)33(30,31)27-21-11-7-6-10-20(21)24(29)25-15-14-18-8-4-3-5-9-18/h3-13,16,27H,14-15H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 2-[(5-acetamido-2-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
2-[(5-acetamido-2-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide has a molecular weight of 467.55 g/mol, XLogP of 3.43, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetamido-2-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 4876833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).