2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide

C17H17N3O5S — CID 110615646

IUPAC2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC)ccc21
InChIInChI=1S/C17H17N3O5S/c1-3-20-14-9-8-11(10-15(14)25-17(20)22)26(23,24)19-13-7-5-4-6-12(13)16(21)18-2/h4-10,19H,3H2,1-2H3,(H,18,21)
InChIKeyPGCHFKOJOLDLRQ-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.77
Rot. Bonds5

About 2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide

2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide (PubChem CID 110615646) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide
PubChem CID110615646
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC)ccc21
InChIInChI=1S/C17H17N3O5S/c1-3-20-14-9-8-11(10-15(14)25-17(20)22)26(23,24)19-13-7-5-4-6-12(13)16(21)18-2/h4-10,19H,3H2,1-2H3,(H,18,21)
InChIKeyPGCHFKOJOLDLRQ-UHFFFAOYSA-N
XLogP1.77
TPSA110.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648195
3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648212
3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide
CID 110311284
N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648304
N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648198
3-ethyl-N-(3-methylsulfanylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648252
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648292
methyl 2-[6-[(2,5-difluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051796
2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 100724442
N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110307463
3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63839677
3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 71683958

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of 2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide (CID 110615646) is 2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for 2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for 2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide is CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC)ccc21.
What is the InChIKey of 2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide?
The InChIKey is PGCHFKOJOLDLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-3-20-14-9-8-11(10-15(14)25-17(20)22)26(23,24)19-13-7-5-4-6-12(13)16(21)18-2/h4-10,19H,3H2,1-2H3,(H,18,21).
What are the key properties of 2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide?
2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide has a molecular weight of 375.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 110615646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).