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

C17H16N4O4S2 — CID 3239184

IUPACN-(3-acetylphenyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2cccc3nsnc23)c1
InChIInChI=1S/C17H16N4O4S2/c1-11(22)12-4-2-5-13(10-12)19-16(23)8-9-18-27(24,25)15-7-3-6-14-17(15)21-26-20-14/h2-7,10,18H,8-9H2,1H3,(H,19,23)
InChIKeyDABQRKBJBUWZKF-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.20
Rot. Bonds7

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

N-(3-acetylphenyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanamide (PubChem CID 3239184) has the molecular formula C17H16N4O4S2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanamide
PubChem CID3239184
Molecular FormulaC17H16N4O4S2
Molecular Weight404.47 g/mol
Exact Mass404.06
IUPAC NameN-(3-acetylphenyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2cccc3nsnc23)c1
InChIInChI=1S/C17H16N4O4S2/c1-11(22)12-4-2-5-13(10-12)19-16(23)8-9-18-27(24,25)15-7-3-6-14-17(15)21-26-20-14/h2-7,10,18H,8-9H2,1H3,(H,19,23)
InChIKeyDABQRKBJBUWZKF-UHFFFAOYSA-N
XLogP2.20
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide
CID 3235802
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(4-bromo-3-methylphenyl)propanamide
CID 4253315
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(2,3-dimethylphenyl)propanamide
CID 15987767
N-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide
CID 3239240
N-(4-acetylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3621069
N-[2-(methylamino)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 62657997
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N'-hydroxypropanimidamide
CID 76953208
3-[(2-methylbenzotriazol-4-yl)sulfonylamino]-N-(3-methylphenyl)propanamide
CID 131889963
N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 34830305
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 4053515
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide
CID 22583020
dimethyl 5-[3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanoylamino]benzene-1,3-dicarboxylate
CID 4243798

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanamide (CID 3239184) is N-(3-acetylphenyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanamide is CC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2cccc3nsnc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanamide?
The InChIKey is DABQRKBJBUWZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S2/c1-11(22)12-4-2-5-13(10-12)19-16(23)8-9-18-27(24,25)15-7-3-6-14-17(15)21-26-20-14/h2-7,10,18H,8-9H2,1H3,(H,19,23).
What are the key properties of N-(3-acetylphenyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanamide?
N-(3-acetylphenyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanamide has a molecular weight of 404.47 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanamide is sourced from PubChem (CID 3239184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).