2-(2-bicyclo[2.2.1]heptanyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide

C23H28N2O5S — CID 3555690

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C23H28N2O5S/c1-29-21-6-4-3-5-19(21)25-31(27,28)18-9-10-22(30-2)20(14-18)24-23(26)13-17-12-15-7-8-16(17)11-15/h3-6,9-10,14-17,25H,7-8,11-13H2,1-2H3,(H,24,26)
InChIKeyWVXQIFHZFBESRP-UHFFFAOYSA-N
MW444.55 g/mol
LogP4.27
Rot. Bonds8

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 3555690) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
PubChem CID3555690
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C23H28N2O5S/c1-29-21-6-4-3-5-19(21)25-31(27,28)18-9-10-22(30-2)20(14-18)24-23(26)13-17-12-15-7-8-16(17)11-15/h3-6,9-10,14-17,25H,7-8,11-13H2,1-2H3,(H,24,26)
InChIKeyWVXQIFHZFBESRP-UHFFFAOYSA-N
XLogP4.27
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide (CID 3555690) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide is COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is WVXQIFHZFBESRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-29-21-6-4-3-5-19(21)25-31(27,28)18-9-10-22(30-2)20(14-18)24-23(26)13-17-12-15-7-8-16(17)11-15/h3-6,9-10,14-17,25H,7-8,11-13H2,1-2H3,(H,24,26).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 444.55 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3555690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).