N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide

C15H13N3O4S — CID 110728768

IUPACN-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3ocnc3c2)cc1
InChIInChI=1S/C15H13N3O4S/c1-10(19)17-11-2-5-13(6-3-11)23(20,21)18-12-4-7-15-14(8-12)16-9-22-15/h2-9,18H,1H3,(H,17,19)
InChIKeyLQKWIVXJYVMXLZ-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.59
Rot. Bonds4

About N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide

N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide (PubChem CID 110728768) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide
PubChem CID110728768
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC NameN-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3ocnc3c2)cc1
InChIInChI=1S/C15H13N3O4S/c1-10(19)17-11-2-5-13(6-3-11)23(20,21)18-12-4-7-15-14(8-12)16-9-22-15/h2-9,18H,1H3,(H,17,19)
InChIKeyLQKWIVXJYVMXLZ-UHFFFAOYSA-N
XLogP2.59
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110728739
N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide
CID 39343485
N-[4-(1,3-benzoxazol-6-ylmethylsulfamoyl)phenyl]acetamide
CID 110785059
N-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide
CID 110728755
N-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide
CID 74225339
N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397
N-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide
CID 108795105
N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide
CID 8841631
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
N-[4-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 2231689
4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 9240650
N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide
CID 110728684

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide (CID 110728768) is N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3ocnc3c2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide?
The InChIKey is LQKWIVXJYVMXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-10(19)17-11-2-5-13(6-3-11)23(20,21)18-12-4-7-15-14(8-12)16-9-22-15/h2-9,18H,1H3,(H,17,19).
What are the key properties of N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide?
N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide has a molecular weight of 331.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 110728768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).