(E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide

C23H19FN2O2S — CID 51482085

IUPAC(E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide
SMILESCC(=O)N1CCc2cc(NC(=O)/C=C/c3ccc(-c4ccc(F)cc4)s3)ccc21
InChIInChI=1S/C23H19FN2O2S/c1-15(27)26-13-12-17-14-19(6-9-21(17)26)25-23(28)11-8-20-7-10-22(29-20)16-2-4-18(24)5-3-16/h2-11,14H,12-13H2,1H3,(H,25,28)/b11-8+
InChIKeyKGFBNVPLPCTQRT-DHZHZOJOSA-N
MW406.48 g/mol
LogP5.12
Rot. Bonds4

About (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide

(E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide (PubChem CID 51482085) has the molecular formula C23H19FN2O2S and a molecular weight of 406.48 g/mol. Its IUPAC name is (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide
PubChem CID51482085
Molecular FormulaC23H19FN2O2S
Molecular Weight406.48 g/mol
Exact Mass406.12
IUPAC Name(E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide
SMILESCC(=O)N1CCc2cc(NC(=O)/C=C/c3ccc(-c4ccc(F)cc4)s3)ccc21
InChIInChI=1S/C23H19FN2O2S/c1-15(27)26-13-12-17-14-19(6-9-21(17)26)25-23(28)11-8-20-7-10-22(29-20)16-2-4-18(24)5-3-16/h2-11,14H,12-13H2,1H3,(H,25,28)/b11-8+
InChIKeyKGFBNVPLPCTQRT-DHZHZOJOSA-N
XLogP5.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-bromophenyl)prop-2-enamide
CID 30495352
(Z)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 97428981
(E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 30296698
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 46509280
(E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667582
(E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7668831
methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate
CID 113220269
(E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 7789521
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
2-[3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoylamino]-N-methylbenzamide
CID 76855623
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-difluoro-6-hydroxybenzamide
CID 71936135

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide (CID 51482085) is (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide is CC(=O)N1CCc2cc(NC(=O)/C=C/c3ccc(-c4ccc(F)cc4)s3)ccc21.
What is the InChIKey of (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide?
The InChIKey is KGFBNVPLPCTQRT-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H19FN2O2S/c1-15(27)26-13-12-17-14-19(6-9-21(17)26)25-23(28)11-8-20-7-10-22(29-20)16-2-4-18(24)5-3-16/h2-11,14H,12-13H2,1H3,(H,25,28)/b11-8+.
What are the key properties of (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide?
(E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide has a molecular weight of 406.48 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide is sourced from PubChem (CID 51482085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).