N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide

C16H15N3O4S — CID 110760599

IUPACN-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2ccc3oc(C)nc3c2)c1
InChIInChI=1S/C16H15N3O4S/c1-10(20)17-12-4-3-5-13(8-12)19-24(21,22)14-6-7-16-15(9-14)18-11(2)23-16/h3-9,19H,1-2H3,(H,17,20)
InChIKeyADESVECATVJHSN-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.90
Rot. Bonds4

About N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide

N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide (PubChem CID 110760599) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide
PubChem CID110760599
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2ccc3oc(C)nc3c2)c1
InChIInChI=1S/C16H15N3O4S/c1-10(20)17-12-4-3-5-13(8-12)19-24(21,22)14-6-7-16-15(9-14)18-11(2)23-16/h3-9,19H,1-2H3,(H,17,20)
InChIKeyADESVECATVJHSN-UHFFFAOYSA-N
XLogP2.90
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 9240650
N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 110773893
N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760583
N-[4-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 2231689
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760604
N,2-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 83537343
N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760607
N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide
CID 39343485
2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 110760591
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]acetamide
CID 4816692
N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122
4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729102

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide (CID 110760599) is N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3oc(C)nc3c2)c1.
What is the InChIKey of N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide?
The InChIKey is ADESVECATVJHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-10(20)17-12-4-3-5-13(8-12)19-24(21,22)14-6-7-16-15(9-14)18-11(2)23-16/h3-9,19H,1-2H3,(H,17,20).
What are the key properties of N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide?
N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide has a molecular weight of 345.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 110760599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).