2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide

C24H23N3O5S2 — CID 5167164

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nc3ccccc3o2)c1
InChIInChI=1S/C24H23N3O5S2/c1-3-27(17-9-5-4-6-10-17)34(29,30)18-13-14-21(31-2)20(15-18)25-23(28)16-33-24-26-19-11-7-8-12-22(19)32-24/h4-15H,3,16H2,1-2H3,(H,25,28)
InChIKeyPJLWWJPGCBLMNG-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.78
Rot. Bonds9

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide (PubChem CID 5167164) has the molecular formula C24H23N3O5S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide
PubChem CID5167164
Molecular FormulaC24H23N3O5S2
Molecular Weight497.60 g/mol
Exact Mass497.11
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nc3ccccc3o2)c1
InChIInChI=1S/C24H23N3O5S2/c1-3-27(17-9-5-4-6-10-17)34(29,30)18-13-14-21(31-2)20(15-18)25-23(28)16-33-24-26-19-11-7-8-12-22(19)32-24/h4-15H,3,16H2,1-2H3,(H,25,28)
InChIKeyPJLWWJPGCBLMNG-UHFFFAOYSA-N
XLogP4.78
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9438955
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-phenylsulfanylacetamide
CID 2914927
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 26876968
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide
CID 4826047
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-methylpyridine-2-carboxamide
CID 31912749
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2480101
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 42983279
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]naphthalene-1-carboxamide
CID 4801217
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836307
cis-(1S,2R)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 129421663
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 4833486
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-quinolin-2-ylsulfanylacetamide
CID 17421537

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide (CID 5167164) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nc3ccccc3o2)c1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide?
The InChIKey is PJLWWJPGCBLMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S2/c1-3-27(17-9-5-4-6-10-17)34(29,30)18-13-14-21(31-2)20(15-18)25-23(28)16-33-24-26-19-11-7-8-12-22(19)32-24/h4-15H,3,16H2,1-2H3,(H,25,28).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide has a molecular weight of 497.60 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 5167164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).