2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyrrol-1-ylphenyl)acetamide

C19H15N3O2S — CID 90654539

IUPAC2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Cn1sc2ccccc2c1=O)Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H15N3O2S/c23-18(13-22-19(24)16-5-1-2-6-17(16)25-22)20-14-7-9-15(10-8-14)21-11-3-4-12-21/h1-12H,13H2,(H,20,23)
InChIKeySJUXHCSNSGLKJD-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.49
Rot. Bonds4

About 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyrrol-1-ylphenyl)acetamide

2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 90654539) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID90654539
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Cn1sc2ccccc2c1=O)Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H15N3O2S/c23-18(13-22-19(24)16-5-1-2-6-17(16)25-22)20-14-7-9-15(10-8-14)21-11-3-4-12-21/h1-12H,13H2,(H,20,23)
InChIKeySJUXHCSNSGLKJD-UHFFFAOYSA-N
XLogP3.49
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-3-pyrrol-1-yl-benzamide
CID 25102417
4-(2,3-Dihydro-1H-indole-1-sulfonyl)-N-ethyl-1-methyl-N-phenyl-1H-pyrrole-2-carboxamide
CID 6623939
N-(2,6-diethylphenyl)-4-(2,3-dihydro-1H-indole-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxamide
CID 16017885
N-tert-butyl-4-indolin-1-ylsulfonyl-1-methyl-pyrrole-2-carboxamide
CID 22519145
N-cyclohexyl-4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide
CID 22519152
4-(2,3-Dihydro-1H-indole-1-sulfonyl)-N-(2-ethylphenyl)-1-methyl-1H-pyrrole-2-carboxamide
CID 22519164
4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(3-methylbutyl)pyrrole-2-carboxamide
CID 22519193
4-(2,3-Dihydro-1H-indole-1-sulfonyl)-N-(4-fluoro-2-methylphenyl)-1-methyl-1H-pyrrole-2-carboxamide
CID 22519229
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-pyrrol-1-ylbenzamide
CID 24983214
3-oxo-N-(pyridin-2-ylmethyl)-1,2-benzothiazole-2-carboxamide
CID 90654523
2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyridin-2-ylphenyl)acetamide
CID 90654538
2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 663177

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyrrol-1-ylphenyl)acetamide (CID 90654539) is 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyrrol-1-ylphenyl)acetamide is O=C(Cn1sc2ccccc2c1=O)Nc1ccc(-n2cccc2)cc1.
What is the InChIKey of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is SJUXHCSNSGLKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c23-18(13-22-19(24)16-5-1-2-6-17(16)25-22)20-14-7-9-15(10-8-14)21-11-3-4-12-21/h1-12H,13H2,(H,20,23).
What are the key properties of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyrrol-1-ylphenyl)acetamide?
2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 349.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,2-benzothiazol-2-yl)-N-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 90654539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).