2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide

C22H25N3O6S — CID 45106325

IUPAC2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCC3)ccc21
InChIInChI=1S/C22H25N3O6S/c1-2-30-19-10-6-5-9-17(19)23-21(26)14-25-18-12-11-16(13-20(18)31-22(25)27)32(28,29)24-15-7-3-4-8-15/h5-6,9-13,15,24H,2-4,7-8,14H2,1H3,(H,23,26)
InChIKeyDXOINZHKQYZLOJ-UHFFFAOYSA-N
MW459.52 g/mol
LogP2.85
Rot. Bonds8

About 2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide

2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 45106325) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is 2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide
PubChem CID45106325
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC Name2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCC3)ccc21
InChIInChI=1S/C22H25N3O6S/c1-2-30-19-10-6-5-9-17(19)23-21(26)14-25-18-12-11-16(13-20(18)31-22(25)27)32(28,29)24-15-7-3-4-8-15/h5-6,9-13,15,24H,2-4,7-8,14H2,1H3,(H,23,26)
InChIKeyDXOINZHKQYZLOJ-UHFFFAOYSA-N
XLogP2.85
TPSA119.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 20879555
2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 3590656
N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide
CID 20879564
N-(1-benzylpiperidin-4-yl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 16673757
N-(2-chlorophenyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 19260081
N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide
CID 36995103
N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110307463
2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide
CID 19260057
N-(2,3-dimethylphenyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 23603586
N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 20879513
N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760844
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2,3-dimethylphenyl)acetamide
CID 23603550

Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide (CID 45106325) is 2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCC3)ccc21.
What is the InChIKey of 2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is DXOINZHKQYZLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-2-30-19-10-6-5-9-17(19)23-21(26)14-25-18-12-11-16(13-20(18)31-22(25)27)32(28,29)24-15-7-3-4-8-15/h5-6,9-13,15,24H,2-4,7-8,14H2,1H3,(H,23,26).
What are the key properties of 2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide?
2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 459.52 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 45106325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).