N-(2,4-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

C16H15F2NOS — CID 1311147

IUPACN-(2,4-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H15F2NOS/c1-11-4-2-3-5-12(11)9-21-10-16(20)19-15-7-6-13(17)8-14(15)18/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyICLJDEQUKMFEAR-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.15
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-(2,4-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 1311147) has the molecular formula C16H15F2NOS and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID1311147
Molecular FormulaC16H15F2NOS
Molecular Weight307.37 g/mol
Exact Mass307.08
IUPAC NameN-(2,4-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H15F2NOS/c1-11-4-2-3-5-12(11)9-21-10-16(20)19-15-7-6-13(17)8-14(15)18/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyICLJDEQUKMFEAR-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 1311147) is N-(2,4-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is ICLJDEQUKMFEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NOS/c1-11-4-2-3-5-12(11)9-21-10-16(20)19-15-7-6-13(17)8-14(15)18/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of N-(2,4-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-(2,4-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 307.37 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 1311147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).