N-(4-fluorophenyl)-2-[3-[(3-oxo-1-benzothiophen-2-ylidene)methyl]indol-1-yl]acetamide

C25H17FN2O2S — CID 3788355

IUPACN-(4-fluorophenyl)-2-[3-[(3-oxo-1-benzothiophen-2-ylidene)methyl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(C=C2Sc3ccccc3C2=O)c2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C25H17FN2O2S/c26-17-9-11-18(12-10-17)27-24(29)15-28-14-16(19-5-1-3-7-21(19)28)13-23-25(30)20-6-2-4-8-22(20)31-23/h1-14H,15H2,(H,27,29)
InChIKeyNHFOAOTXEVMVEZ-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.75
Rot. Bonds4

About N-(4-fluorophenyl)-2-[3-[(3-oxo-1-benzothiophen-2-ylidene)methyl]indol-1-yl]acetamide

N-(4-fluorophenyl)-2-[3-[(3-oxo-1-benzothiophen-2-ylidene)methyl]indol-1-yl]acetamide (PubChem CID 3788355) has the molecular formula C25H17FN2O2S and a molecular weight of 428.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-[(3-oxo-1-benzothiophen-2-ylidene)methyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-[(3-oxo-1-benzothiophen-2-ylidene)methyl]indol-1-yl]acetamide
PubChem CID3788355
Molecular FormulaC25H17FN2O2S
Molecular Weight428.49 g/mol
Exact Mass428.10
IUPAC NameN-(4-fluorophenyl)-2-[3-[(3-oxo-1-benzothiophen-2-ylidene)methyl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(C=C2Sc3ccccc3C2=O)c2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C25H17FN2O2S/c26-17-9-11-18(12-10-17)27-24(29)15-28-14-16(19-5-1-3-7-21(19)28)13-23-25(30)20-6-2-4-8-22(20)31-23/h1-14H,15H2,(H,27,29)
InChIKeyNHFOAOTXEVMVEZ-UHFFFAOYSA-N
XLogP5.75
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(Z)-[3-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide
CID 126278617
N-(4-fluorophenyl)-2-[3-[(E)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
CID 135641320
2-[3-[(Z)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]indol-1-yl]-N-phenylacetamide
CID 126107275
methyl 2-[3-[(Z)-[3-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetate
CID 126131893
2-[3-[(E)-[3-[2-(2-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide
CID 126247431
ethyl 2-[5-[[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 3291129
N-(4-fluorophenyl)-2-[3-[(Z)-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
CID 126278320
N-(4-bromophenyl)-2-[(5Z)-5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126183753
2-[3-[(E)-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide
CID 137139609
N-(4-fluorophenyl)-2-[(5Z)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126143065
2-[(5Z)-5-[[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)acetamide
CID 126138942
2-[3-[(E)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(3-methylphenyl)acetamide
CID 137050983

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-[(3-oxo-1-benzothiophen-2-ylidene)methyl]indol-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-[(3-oxo-1-benzothiophen-2-ylidene)methyl]indol-1-yl]acetamide (CID 3788355) is N-(4-fluorophenyl)-2-[3-[(3-oxo-1-benzothiophen-2-ylidene)methyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-[(3-oxo-1-benzothiophen-2-ylidene)methyl]indol-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-[(3-oxo-1-benzothiophen-2-ylidene)methyl]indol-1-yl]acetamide is O=C(Cn1cc(C=C2Sc3ccccc3C2=O)c2ccccc21)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-[(3-oxo-1-benzothiophen-2-ylidene)methyl]indol-1-yl]acetamide?
The InChIKey is NHFOAOTXEVMVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN2O2S/c26-17-9-11-18(12-10-17)27-24(29)15-28-14-16(19-5-1-3-7-21(19)28)13-23-25(30)20-6-2-4-8-22(20)31-23/h1-14H,15H2,(H,27,29).
What are the key properties of N-(4-fluorophenyl)-2-[3-[(3-oxo-1-benzothiophen-2-ylidene)methyl]indol-1-yl]acetamide?
N-(4-fluorophenyl)-2-[3-[(3-oxo-1-benzothiophen-2-ylidene)methyl]indol-1-yl]acetamide has a molecular weight of 428.49 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-[(3-oxo-1-benzothiophen-2-ylidene)methyl]indol-1-yl]acetamide is sourced from PubChem (CID 3788355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).