N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide

C20H19FN2O3S — CID 34184863

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)c(F)c1
InChIInChI=1S/C20H19FN2O3S/c1-12(24)14-3-6-19(17(21)10-14)27-11-20(26)22-16-4-5-18-15(9-16)7-8-23(18)13(2)25/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,26)
InChIKeyXLKHEGJBFCKSOK-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.67
Rot. Bonds5

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide (PubChem CID 34184863) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide
PubChem CID34184863
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)c(F)c1
InChIInChI=1S/C20H19FN2O3S/c1-12(24)14-3-6-19(17(21)10-14)27-11-20(26)22-16-4-5-18-15(9-16)7-8-23(18)13(2)25/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,26)
InChIKeyXLKHEGJBFCKSOK-UHFFFAOYSA-N
XLogP3.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 29288915
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
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2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
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N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 18206710
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17460373
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
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N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide
CID 25380755
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-amino-3,5-dichlorophenyl)acetamide
CID 51193247
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363809

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide (CID 34184863) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide is CC(=O)c1ccc(SCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)c(F)c1.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide?
The InChIKey is XLKHEGJBFCKSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-12(24)14-3-6-19(17(21)10-14)27-11-20(26)22-16-4-5-18-15(9-16)7-8-23(18)13(2)25/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,26).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide has a molecular weight of 386.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 34184863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).