N-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide

C24H26FN3O2S — CID 55650100

IUPACN-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C24H26FN3O2S/c1-14(2)23(29)28-21(11-15-13-26-19-6-4-3-5-17(15)19)24(30)27-20-9-10-31-22-8-7-16(25)12-18(20)22/h3-8,12-14,20-21,26H,9-11H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyZEWAQCZZWSHLCK-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.34
Rot. Bonds6

About N-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide

N-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide (PubChem CID 55650100) has the molecular formula C24H26FN3O2S and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
PubChem CID55650100
Molecular FormulaC24H26FN3O2S
Molecular Weight439.56 g/mol
Exact Mass439.17
IUPAC NameN-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C24H26FN3O2S/c1-14(2)23(29)28-21(11-15-13-26-19-6-4-3-5-17(15)19)24(30)27-20-9-10-31-22-8-7-16(25)12-18(20)22/h3-8,12-14,20-21,26H,9-11H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyZEWAQCZZWSHLCK-UHFFFAOYSA-N
XLogP4.34
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide with MolForge

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Related Compounds

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N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide
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N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide
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N-[1-(3-hydroxybutylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
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N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
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(2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide (CID 55650100) is N-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide is CC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC1CCSc2ccc(F)cc21.
What is the InChIKey of N-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The InChIKey is ZEWAQCZZWSHLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2S/c1-14(2)23(29)28-21(11-15-13-26-19-6-4-3-5-17(15)19)24(30)27-20-9-10-31-22-8-7-16(25)12-18(20)22/h3-8,12-14,20-21,26H,9-11H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
N-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide has a molecular weight of 439.56 g/mol, XLogP of 4.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 55650100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).