N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxamide

C20H22FN3O2S — CID 143829458

IUPACN-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(/C=C2\C(=O)Nc3ccc(F)cc32)s1
InChIInChI=1S/C20H22FN3O2S/c1-3-24(4-2)10-9-22-20(26)18-8-6-14(27-18)12-16-15-11-13(21)5-7-17(15)23-19(16)25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,26)(H,23,25)/b16-12-
InChIKeyLHBJYYHWTLTDEZ-VBKFSLOCSA-N
MW387.48 g/mol
LogP3.45
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxamide

N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxamide (PubChem CID 143829458) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxamide
PubChem CID143829458
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC NameN-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(/C=C2\C(=O)Nc3ccc(F)cc32)s1
InChIInChI=1S/C20H22FN3O2S/c1-3-24(4-2)10-9-22-20(26)18-8-6-14(27-18)12-16-15-11-13(21)5-7-17(15)23-19(16)25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,26)(H,23,25)/b16-12-
InChIKeyLHBJYYHWTLTDEZ-VBKFSLOCSA-N
XLogP3.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;ethane
CID 143583029
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrole-3-carboxamide
CID 76751725
(Z)-but-2-enedioic acid;N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 162335139
N-[2-(diethylamino)ethyl]-4-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide
CID 135157294
(E)-but-2-enedioate;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 131734273
4-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 69242679
N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2R)-2-hydroxybutanoic acid
CID 160538632
2-(2-aminoethoxy)ethyl 4-[2-(diethylamino)ethylcarbamoyl]-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3,5-dimethylpyrrole-1-carboxylate
CID 123560891
N-[2-[ethyl(methyl)amino]ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 91295175
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;2-hydroxybenzoic acid
CID 67511624
N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-5-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 25122434
N-(butylcarbamoyl)-N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 67985252

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxamide (CID 143829458) is N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxamide is CCN(CC)CCNC(=O)c1ccc(/C=C2\C(=O)Nc3ccc(F)cc32)s1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxamide?
The InChIKey is LHBJYYHWTLTDEZ-VBKFSLOCSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c1-3-24(4-2)10-9-22-20(26)18-8-6-14(27-18)12-16-15-11-13(21)5-7-17(15)23-19(16)25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,26)(H,23,25)/b16-12-.
What are the key properties of N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxamide?
N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 143829458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).