N-benzyl-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide

C23H21N3O5S2 — CID 2642267

IUPACN-benzyl-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)NCc3ccccc3)nc2c1
InChIInChI=1S/C23H21N3O5S2/c1-30-20-10-6-5-9-18(20)26-33(28,29)17-11-12-21-19(13-17)25-23(31-21)32-15-22(27)24-14-16-7-3-2-4-8-16/h2-13,26H,14-15H2,1H3,(H,24,27)
InChIKeyFERWJHVDRYMZRU-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.05
Rot. Bonds9

About N-benzyl-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide

N-benzyl-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide (PubChem CID 2642267) has the molecular formula C23H21N3O5S2 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-benzyl-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
PubChem CID2642267
Molecular FormulaC23H21N3O5S2
Molecular Weight483.57 g/mol
Exact Mass483.09
IUPAC NameN-benzyl-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)NCc3ccccc3)nc2c1
InChIInChI=1S/C23H21N3O5S2/c1-30-20-10-6-5-9-18(20)26-33(28,29)17-11-12-21-19(13-17)25-23(31-21)32-15-22(27)24-14-16-7-3-2-4-8-16/h2-13,26H,14-15H2,1H3,(H,24,27)
InChIKeyFERWJHVDRYMZRU-UHFFFAOYSA-N
XLogP4.05
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 16533268
2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41274677
2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41254514
N-(2-benzoylphenyl)-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 25039293
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 4998031
N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 4689194
2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 25046162
2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 16533327
2-[(4-bromophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 25037684
2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 4694006
ethyl 5-[2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 2390272
2-[(1S)-1-cyanoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 8926890

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide (CID 2642267) is N-benzyl-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide is COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)NCc3ccccc3)nc2c1.
What is the InChIKey of N-benzyl-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide?
The InChIKey is FERWJHVDRYMZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S2/c1-30-20-10-6-5-9-18(20)26-33(28,29)17-11-12-21-19(13-17)25-23(31-21)32-15-22(27)24-14-16-7-3-2-4-8-16/h2-13,26H,14-15H2,1H3,(H,24,27).
What are the key properties of N-benzyl-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide?
N-benzyl-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide has a molecular weight of 483.57 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2642267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).