N-[4-(1,3-benzoxazol-6-ylmethylsulfamoyl)phenyl]acetamide

C16H15N3O4S — CID 110785059

IUPACN-[4-(1,3-benzoxazol-6-ylmethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3ncoc3c2)cc1
InChIInChI=1S/C16H15N3O4S/c1-11(20)19-13-3-5-14(6-4-13)24(21,22)18-9-12-2-7-15-16(8-12)23-10-17-15/h2-8,10,18H,9H2,1H3,(H,19,20)
InChIKeyDCLBPXICLMKULJ-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.26
Rot. Bonds5

About N-[4-(1,3-benzoxazol-6-ylmethylsulfamoyl)phenyl]acetamide

N-[4-(1,3-benzoxazol-6-ylmethylsulfamoyl)phenyl]acetamide (PubChem CID 110785059) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-6-ylmethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-6-ylmethylsulfamoyl)phenyl]acetamide
PubChem CID110785059
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-[4-(1,3-benzoxazol-6-ylmethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3ncoc3c2)cc1
InChIInChI=1S/C16H15N3O4S/c1-11(20)19-13-3-5-14(6-4-13)24(21,22)18-9-12-2-7-15-16(8-12)23-10-17-15/h2-8,10,18H,9H2,1H3,(H,19,20)
InChIKeyDCLBPXICLMKULJ-UHFFFAOYSA-N
XLogP2.26
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzoxazol-6-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110785043
N-(1,3-benzoxazol-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 110785042
N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397
N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide
CID 110728768
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide
CID 9031624
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438
3-acetyl-N-[2-(1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide
CID 110791033
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110791001
[4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191327
N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide
CID 26531816

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-6-ylmethylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(1,3-benzoxazol-6-ylmethylsulfamoyl)phenyl]acetamide (CID 110785059) is N-[4-(1,3-benzoxazol-6-ylmethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-6-ylmethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-6-ylmethylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3ncoc3c2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-6-ylmethylsulfamoyl)phenyl]acetamide?
The InChIKey is DCLBPXICLMKULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-11(20)19-13-3-5-14(6-4-13)24(21,22)18-9-12-2-7-15-16(8-12)23-10-17-15/h2-8,10,18H,9H2,1H3,(H,19,20).
What are the key properties of N-[4-(1,3-benzoxazol-6-ylmethylsulfamoyl)phenyl]acetamide?
N-[4-(1,3-benzoxazol-6-ylmethylsulfamoyl)phenyl]acetamide has a molecular weight of 345.38 g/mol, XLogP of 2.26, 5 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-6-ylmethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 110785059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).