N-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide

C17H17N3O5S — CID 50919367

IUPACN-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide
SMILESCc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
InChIInChI=1S/C17H17N3O5S/c1-10-3-4-11(2)14(7-10)19-16(21)9-18-26(23,24)12-5-6-13-15(8-12)25-17(22)20-13/h3-8,18H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNOEHWVSISATFED-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.65
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide

N-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide (PubChem CID 50919367) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide
PubChem CID50919367
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC NameN-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide
SMILESCc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
InChIInChI=1S/C17H17N3O5S/c1-10-3-4-11(2)14(7-10)19-16(21)9-18-26(23,24)12-5-6-13-15(8-12)25-17(22)20-13/h3-8,18H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNOEHWVSISATFED-UHFFFAOYSA-N
XLogP1.65
TPSA121.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-phenyl]-acetamide
CID 1093454
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
6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 3379018
N-cyclopentyl-2-[6-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 5309751
N-(3-ethylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 3245899
N-(3-fluoro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 5308219
2-[2-Oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-YL]-N-[4-(propan-2-YL)phenyl]acetamide
CID 16012592
3-methyl-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 751870
3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid (2,3-dimethyl-phenyl)-amide
CID 1093443
N-(3,4-dimethylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 20858997
N-(4-Diethylsulfamoyl-phenyl)-2-(2-oxo-benzooxazol-3-yl)-acetamide
CID 648000

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide (CID 50919367) is N-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide is Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide?
The InChIKey is NOEHWVSISATFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-10-3-4-11(2)14(7-10)19-16(21)9-18-26(23,24)12-5-6-13-15(8-12)25-17(22)20-13/h3-8,18H,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide?
N-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide has a molecular weight of 375.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide is sourced from PubChem (CID 50919367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).