N-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide

C17H16N4O5S — CID 3239240

IUPACN-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc23)cc1
InChIInChI=1S/C17H16N4O5S/c1-11(22)12-5-7-13(8-6-12)19-16(23)9-10-18-27(24,25)15-4-2-3-14-17(15)21-26-20-14/h2-8,18H,9-10H2,1H3,(H,19,23)
InChIKeyZRACIFIPHJWNOB-UHFFFAOYSA-N
MW388.41 g/mol
LogP1.73
Rot. Bonds7

About N-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide

N-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide (PubChem CID 3239240) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide
PubChem CID3239240
Molecular FormulaC17H16N4O5S
Molecular Weight388.41 g/mol
Exact Mass388.08
IUPAC NameN-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc23)cc1
InChIInChI=1S/C17H16N4O5S/c1-11(22)12-5-7-13(8-6-12)19-16(23)9-10-18-27(24,25)15-4-2-3-14-17(15)21-26-20-14/h2-8,18H,9-10H2,1H3,(H,19,23)
InChIKeyZRACIFIPHJWNOB-UHFFFAOYSA-N
XLogP1.73
TPSA131.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(4-bromophenyl)propanamide
CID 4249631
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 3236426
dimethyl 5-[3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanoylamino]benzene-1,3-dicarboxylate
CID 4243798
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide
CID 46504550
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide
CID 15997562
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)propanamide
CID 4243804
N-(3-acetylphenyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanamide
CID 3239184
ethyl 4-[3-(2,1,3-benzoxadiazol-4-ylsulfonyl)propanoylamino]benzoate
CID 22421823
4-(2,1,3-benzoxadiazol-4-ylsulfonylamino)butanoate
CID 4105183
N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 25238444
N-(4-acetylphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112999662
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(4-bromo-3-methylphenyl)propanamide
CID 4253315

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide (CID 3239240) is N-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide is CC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc23)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide?
The InChIKey is ZRACIFIPHJWNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S/c1-11(22)12-5-7-13(8-6-12)19-16(23)9-10-18-27(24,25)15-4-2-3-14-17(15)21-26-20-14/h2-8,18H,9-10H2,1H3,(H,19,23).
What are the key properties of N-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide?
N-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide has a molecular weight of 388.41 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide is sourced from PubChem (CID 3239240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).