2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2,4-dimethylphenyl)propanamide

C24H23F2NOS — CID 47011619

IUPAC2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)SC(c2ccc(F)cc2)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C24H23F2NOS/c1-15-4-13-22(16(2)14-15)27-24(28)17(3)29-23(18-5-9-20(25)10-6-18)19-7-11-21(26)12-8-19/h4-14,17,23H,1-3H3,(H,27,28)
InChIKeyYJJMPVNESLWJKX-UHFFFAOYSA-N
MW411.52 g/mol
LogP6.43
Rot. Bonds6

About 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2,4-dimethylphenyl)propanamide

2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2,4-dimethylphenyl)propanamide (PubChem CID 47011619) has the molecular formula C24H23F2NOS and a molecular weight of 411.52 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2,4-dimethylphenyl)propanamide
PubChem CID47011619
Molecular FormulaC24H23F2NOS
Molecular Weight411.52 g/mol
Exact Mass411.15
IUPAC Name2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)SC(c2ccc(F)cc2)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C24H23F2NOS/c1-15-4-13-22(16(2)14-15)27-24(28)17(3)29-23(18-5-9-20(25)10-6-18)19-7-11-21(26)12-8-19/h4-14,17,23H,1-3H3,(H,27,28)
InChIKeyYJJMPVNESLWJKX-UHFFFAOYSA-N
XLogP6.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.52
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-Fluorophenyl)-2,2-dimethyl-4-[(prop-2-en-1-ylsulfanyl)methyl]-1,2-dihydroquinoline
CID 10337273
2-[(2,6-difluorobenzyl)thio]-N-phenylacetamide
CID 872566
2-(benzylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 2897643
2-Benzylsulfanyl-N-m-tolyl-propionamide
CID 2889447
N-(2-fluorophenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 882943
N-(2-fluorophenyl)-2-[(4-methylbenzyl)thio]acetamide
CID 883059
2-Benzylsulfanyl-N-p-tolyl-propionamide
CID 2888981
2-(benzylthio)-N-(4-fluorophenyl)propanamide
CID 2899728
2-[(4-fluorobenzyl)sulfanyl]-N-phenylacetamide
CID 573187
2-benzylsulfanyl-N-(2,4-difluorophenyl)acetamide
CID 563029
2-[(4-methylbenzyl)sulfanyl]-N-phenylacetamide
CID 585002
HL-004
CID 6426883

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2,4-dimethylphenyl)propanamide (CID 47011619) is 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)C(C)SC(c2ccc(F)cc2)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is YJJMPVNESLWJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NOS/c1-15-4-13-22(16(2)14-15)27-24(28)17(3)29-23(18-5-9-20(25)10-6-18)19-7-11-21(26)12-8-19/h4-14,17,23H,1-3H3,(H,27,28).
What are the key properties of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2,4-dimethylphenyl)propanamide?
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 411.52 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 47011619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).