N-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]acetamide

C16H15N3O5S — CID 1093454

IUPACN-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C16H15N3O5S/c1-10(20)17-11-3-5-12(6-4-11)18-25(22,23)13-7-8-14-15(9-13)24-16(21)19(14)2/h3-9,18H,1-2H3,(H,17,20)
InChIKeyRZIYUJYFFHTPOJ-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.89
Rot. Bonds4

About N-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]acetamide

N-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]acetamide (PubChem CID 1093454) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is N-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]acetamide
PubChem CID1093454
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC NameN-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C16H15N3O5S/c1-10(20)17-11-3-5-12(6-4-11)18-25(22,23)13-7-8-14-15(9-13)24-16(21)19(14)2/h3-9,18H,1-2H3,(H,17,20)
InChIKeyRZIYUJYFFHTPOJ-UHFFFAOYSA-N
XLogP1.89
TPSA110.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N4-Acetyl-N1-(2-methoxyphenyl)sulfanilamide
CID 668310
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
3-[2-Oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid
CID 7131707
2,3-Dihydro-2-oxobenzoxazole-6-sulphonamide
CID 89878
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
6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 3379018

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]acetamide (CID 1093454) is N-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1.
What is the InChIKey of N-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]acetamide?
The InChIKey is RZIYUJYFFHTPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-10(20)17-11-3-5-12(6-4-11)18-25(22,23)13-7-8-14-15(9-13)24-16(21)19(14)2/h3-9,18H,1-2H3,(H,17,20).
What are the key properties of N-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]acetamide?
N-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]acetamide has a molecular weight of 361.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 1093454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).