(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide

C27H23FN2O2S — CID 93029213

IUPAC(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide
SMILESO=C(C[C@H](c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C27H23FN2O2S/c28-20-11-9-19(10-12-20)17-30-18-24(22-6-1-2-7-25(22)30)23(26-8-4-14-33-26)15-27(31)29-16-21-5-3-13-32-21/h1-14,18,23H,15-17H2,(H,29,31)/t23-/m0/s1
InChIKeyANGBZVANBOIGAY-QHCPKHFHSA-N
MW458.56 g/mol
LogP6.32
Rot. Bonds8

About (3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide

(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide (PubChem CID 93029213) has the molecular formula C27H23FN2O2S and a molecular weight of 458.56 g/mol. Its IUPAC name is (3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide
PubChem CID93029213
Molecular FormulaC27H23FN2O2S
Molecular Weight458.56 g/mol
Exact Mass458.15
IUPAC Name(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide
SMILESO=C(C[C@H](c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C27H23FN2O2S/c28-20-11-9-19(10-12-20)17-30-18-24(22-6-1-2-7-25(22)30)23(26-8-4-14-33-26)15-27(31)29-16-21-5-3-13-32-21/h1-14,18,23H,15-17H2,(H,29,31)/t23-/m0/s1
InChIKeyANGBZVANBOIGAY-QHCPKHFHSA-N
XLogP6.32
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
CID 3240248
N-Furan-2-ylmethyl-2-(3-propionyl-indol-1-yl)-acetamide
CID 955329
1-[[4-[(4-fluorophenyl)methyl]-5-thieno[3,2-b]pyrrolyl]-oxomethyl]-N-(2-furanylmethyl)-4-piperidinecarboxamide
CID 3240671
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 582676
2-Amino-N-furan-2-ylmethyl-3-(1H-indol-3-yl)-propionamide
CID 582509
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-2-methylpropanamide
CID 17580014
Acetamide, N-furan-2-ylmethyl-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]-
CID 2930335
4-(4-Fluoro-benzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 644788
4-Benzyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 651472
2-[3-(2,2-dimethylpropanoyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 973997
3-(1-Benzyl-1H-indol-3-yl)-2-cyano-N-furan-2-ylmethyl-acrylamide
CID 1073560
N-(4-methoxyphenyl)-2-[3-(thiophen-2-ylcarbonyl)-1H-indol-1-yl]acetamide
CID 1088994

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of (3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide (CID 93029213) is (3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide is O=C(C[C@H](c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12)NCc1ccco1.
What is the InChIKey of (3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide?
The InChIKey is ANGBZVANBOIGAY-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H23FN2O2S/c28-20-11-9-19(10-12-20)17-30-18-24(22-6-1-2-7-25(22)30)23(26-8-4-14-33-26)15-27(31)29-16-21-5-3-13-32-21/h1-14,18,23H,15-17H2,(H,29,31)/t23-/m0/s1.
What are the key properties of (3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide?
(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide has a molecular weight of 458.56 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 93029213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).