4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide

C15H14N2O3S — CID 43522924

IUPAC4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide
SMILESNC(=O)c1ccc(NC2CS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C15H14N2O3S/c16-15(18)10-5-7-11(8-6-10)17-13-9-21(19,20)14-4-2-1-3-12(13)14/h1-8,13,17H,9H2,(H2,16,18)
InChIKeyONCNJOOCNUMQBL-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.73
Rot. Bonds3

About 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide

4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide (PubChem CID 43522924) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide
PubChem CID43522924
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide
SMILESNC(=O)c1ccc(NC2CS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C15H14N2O3S/c16-15(18)10-5-7-11(8-6-10)17-13-9-21(19,20)14-4-2-1-3-12(13)14/h1-8,13,17H,9H2,(H2,16,18)
InChIKeyONCNJOOCNUMQBL-UHFFFAOYSA-N
XLogP1.73
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522853
N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522812
4-[[3-(2-methylphenyl)cyclobutyl]amino]benzamide
CID 43633223
N-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522877
4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide
CID 43178184
N-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 65467625
4-[[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]amino]cyclohexane-1-carboxamide
CID 93466698
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine
CID 43522838
(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol
CID 94848528
4-(cyclopropylamino)benzamide
CID 103605968
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine
CID 43522817
N-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522988

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide?
The IUPAC name of 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide (CID 43522924) is 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide.
What is the SMILES notation for 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide?
The canonical SMILES for 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide is NC(=O)c1ccc(NC2CS(=O)(=O)c3ccccc32)cc1.
What is the InChIKey of 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide?
The InChIKey is ONCNJOOCNUMQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c16-15(18)10-5-7-11(8-6-10)17-13-9-21(19,20)14-4-2-1-3-12(13)14/h1-8,13,17H,9H2,(H2,16,18).
What are the key properties of 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide?
4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide has a molecular weight of 302.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide is sourced from PubChem (CID 43522924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).