2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide

C16H17FN2OS — CID 43302482

IUPAC2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESCc1ccc(SCC(=O)NCc2ccccc2F)c(N)c1
InChIInChI=1S/C16H17FN2OS/c1-11-6-7-15(14(18)8-11)21-10-16(20)19-9-12-4-2-3-5-13(12)17/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyDULCCCIFQKLSNV-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.12
Rot. Bonds5

About 2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide

2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 43302482) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID43302482
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESCc1ccc(SCC(=O)NCc2ccccc2F)c(N)c1
InChIInChI=1S/C16H17FN2OS/c1-11-6-7-15(14(18)8-11)21-10-16(20)19-9-12-4-2-3-5-13(12)17/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyDULCCCIFQKLSNV-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-3-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 79131216
2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 18098876
2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 43302465
2-(2-amino-4-methylphenyl)sulfanylacetohydrazide
CID 63582750
2-(2-amino-4-methylphenyl)sulfanyl-N-prop-2-enylacetamide
CID 43302751
2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7697455
2-(2-amino-4-methylphenyl)sulfanyl-N-propan-2-ylacetamide
CID 43302733
N-[(2-fluorophenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809861
3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 43302341
2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 43305842
2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 66219214
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide (CID 43302482) is 2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide is Cc1ccc(SCC(=O)NCc2ccccc2F)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is DULCCCIFQKLSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-11-6-7-15(14(18)8-11)21-10-16(20)19-9-12-4-2-3-5-13(12)17/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of 2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 43302482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).