2-(1,3-benzoxazol-2-ylsulfonyl)-N-(2-hydroxyethyl)acetamide

C11H12N2O5S — CID 102139420

IUPAC2-(1,3-benzoxazol-2-ylsulfonyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(CS(=O)(=O)c1nc2ccccc2o1)NCCO
InChIInChI=1S/C11H12N2O5S/c14-6-5-12-10(15)7-19(16,17)11-13-8-3-1-2-4-9(8)18-11/h1-4,14H,5-7H2,(H,12,15)
InChIKeyATNJSUCATMCDAT-UHFFFAOYSA-N
MW284.29 g/mol
LogP-0.29
Rot. Bonds5

About 2-(1,3-benzoxazol-2-ylsulfonyl)-N-(2-hydroxyethyl)acetamide

2-(1,3-benzoxazol-2-ylsulfonyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 102139420) has the molecular formula C11H12N2O5S and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfonyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfonyl)-N-(2-hydroxyethyl)acetamide
PubChem CID102139420
Molecular FormulaC11H12N2O5S
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC Name2-(1,3-benzoxazol-2-ylsulfonyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(CS(=O)(=O)c1nc2ccccc2o1)NCCO
InChIInChI=1S/C11H12N2O5S/c14-6-5-12-10(15)7-19(16,17)11-13-8-3-1-2-4-9(8)18-11/h1-4,14H,5-7H2,(H,12,15)
InChIKeyATNJSUCATMCDAT-UHFFFAOYSA-N
XLogP-0.29
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-benzoxazole-2-sulfonic acid;silver
CID 160787540
2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-(cyclopropylmethyl)acetamide
CID 61367431
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-hydroxypropyl)acetamide
CID 5128603
2-(trifluoromethylsulfonyl)-1,3-benzoxazole
CID 154146633
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-hydroxypentyl)acetamide
CID 107319253
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 110711803
N,N-dimethyl-1,3-benzoxazole-2-sulfonamide
CID 71369895
N-propan-2-yl-1,3-benzoxazole-2-sulfonamide
CID 71633138
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(methanesulfonamido)propanamide
CID 91838527
2-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 131910422
2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide
CID 61369143
(Z)-3-(1,3-benzoxazol-2-yl)-N-[2-(methanesulfonamido)ethyl]prop-2-enamide
CID 94653719

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfonyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfonyl)-N-(2-hydroxyethyl)acetamide (CID 102139420) is 2-(1,3-benzoxazol-2-ylsulfonyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfonyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfonyl)-N-(2-hydroxyethyl)acetamide is O=C(CS(=O)(=O)c1nc2ccccc2o1)NCCO.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfonyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is ATNJSUCATMCDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S/c14-6-5-12-10(15)7-19(16,17)11-13-8-3-1-2-4-9(8)18-11/h1-4,14H,5-7H2,(H,12,15).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfonyl)-N-(2-hydroxyethyl)acetamide?
2-(1,3-benzoxazol-2-ylsulfonyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 284.29 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfonyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 102139420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).