2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide

C23H27FN2O4S2 — CID 43000335

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)c(F)c1
InChIInChI=1S/C23H27FN2O4S2/c1-15-10-16(2)13-26(12-15)32(29,30)20-7-5-19(6-8-20)25-23(28)14-31-22-9-4-18(17(3)27)11-21(22)24/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,25,28)
InChIKeyGEKAFAKOEVERKM-UHFFFAOYSA-N
MW478.61 g/mol
LogP4.43
Rot. Bonds7

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 43000335) has the molecular formula C23H27FN2O4S2 and a molecular weight of 478.61 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID43000335
Molecular FormulaC23H27FN2O4S2
Molecular Weight478.61 g/mol
Exact Mass478.14
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)c(F)c1
InChIInChI=1S/C23H27FN2O4S2/c1-15-10-16(2)13-26(12-15)32(29,30)20-7-5-19(6-8-20)25-23(28)14-31-22-9-4-18(17(3)27)11-21(22)24/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,25,28)
InChIKeyGEKAFAKOEVERKM-UHFFFAOYSA-N
XLogP4.43
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 31504385
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluorophenyl)benzamide
CID 2634767
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 4113027
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363809
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 41123965
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 41123964
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34192175
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide
CID 43030164
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 26667345
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide
CID 34184863
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-amino-3,5-dichlorophenyl)acetamide
CID 51193247
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 26918025

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide (CID 43000335) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide is CC(=O)c1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is GEKAFAKOEVERKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4S2/c1-15-10-16(2)13-26(12-15)32(29,30)20-7-5-19(6-8-20)25-23(28)14-31-22-9-4-18(17(3)27)11-21(22)24/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,25,28).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 478.61 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 43000335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).