3-methyl-2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-6-sulfonamide

C16H16N2O4S — CID 1093460

IUPAC3-methyl-2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NCCc3ccccc3)ccc21
InChIInChI=1S/C16H16N2O4S/c1-18-14-8-7-13(11-15(14)22-16(18)19)23(20,21)17-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3
InChIKeyFYFBGSNJMPETSN-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.65
Rot. Bonds5

About 3-methyl-2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-6-sulfonamide

3-methyl-2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-6-sulfonamide (PubChem CID 1093460) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-6-sulfonamide
PubChem CID1093460
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name3-methyl-2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NCCc3ccccc3)ccc21
InChIInChI=1S/C16H16N2O4S/c1-18-14-8-7-13(11-15(14)22-16(18)19)23(20,21)17-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3
InChIKeyFYFBGSNJMPETSN-UHFFFAOYSA-N
XLogP1.65
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Besonprodil
CID 156328
N-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide
CID 50919367
3-Methyl-2-oxo-N-phenyl-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 564213
N-(2-Fluorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 611342
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 728803
2,3-Dihydro-2-oxobenzoxazole-6-sulphonamide
CID 89878
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 9551425
N-[4-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-phenyl]-acetamide
CID 1093454
N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide
CID 1093455
3-Methyl-6-(4-methyl-piperidine-1-sulfonyl)-3H-benzooxazol-2-one
CID 1093465
N-cyclohexyl-N-methyl-2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonamide
CID 1828480
6-(2,3-Dihydroindol-1-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one
CID 1965778

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-methyl-2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-6-sulfonamide (CID 1093460) is 3-methyl-2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-methyl-2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-methyl-2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)NCCc3ccccc3)ccc21.
What is the InChIKey of 3-methyl-2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-6-sulfonamide?
The InChIKey is FYFBGSNJMPETSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-18-14-8-7-13(11-15(14)22-16(18)19)23(20,21)17-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3.
What are the key properties of 3-methyl-2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-6-sulfonamide?
3-methyl-2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-6-sulfonamide has a molecular weight of 332.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 1093460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).