N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide

C11H14N2O4S — CID 110786920

IUPACN-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C11H14N2O4S/c1-3-18(15,16)12-7-8-4-5-10-9(6-8)13(2)11(14)17-10/h4-6,12H,3,7H2,1-2H3
InChIKeyAZPWJDJPEACZRD-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.57
Rot. Bonds4

About N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide

N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide (PubChem CID 110786920) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide
PubChem CID110786920
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C11H14N2O4S/c1-3-18(15,16)12-7-8-4-5-10-9(6-8)13(2)11(14)17-10/h4-6,12H,3,7H2,1-2H3
InChIKeyAZPWJDJPEACZRD-UHFFFAOYSA-N
XLogP0.57
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786930
N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110786696
5-[(2-aminoethylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 115195345
(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium
CID 143272906
5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole
CID 110792287
3-chloro-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]propanamide
CID 115162534
5-chloro-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 17139154
1-tert-butyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]urea
CID 110775584
5-(3-chloropropyl)-3-methyl-1,3-benzoxazol-2-one
CID 116926676
3-methyl-5-[2-(methylaminomethylamino)ethyl]-1,3-benzoxazol-2-one
CID 115227229
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]cyclopentanecarboxamide
CID 110786846
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-3-phenylpropanamide
CID 110786871

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide (CID 110786920) is N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide?
The InChIKey is AZPWJDJPEACZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-3-18(15,16)12-7-8-4-5-10-9(6-8)13(2)11(14)17-10/h4-6,12H,3,7H2,1-2H3.
What are the key properties of N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide?
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide has a molecular weight of 270.31 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 110786920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).