N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide

C16H15F2NOS — CID 36553979

IUPACN-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2cc(F)cc(F)c2)cc1C
InChIInChI=1S/C16H15F2NOS/c1-10-3-4-15(5-11(10)2)21-9-16(20)19-14-7-12(17)6-13(18)8-14/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyDAWHPYFUNVEVQM-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.31
Rot. Bonds4

About N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide

N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide (PubChem CID 36553979) has the molecular formula C16H15F2NOS and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
PubChem CID36553979
Molecular FormulaC16H15F2NOS
Molecular Weight307.37 g/mol
Exact Mass307.08
IUPAC NameN-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2cc(F)cc(F)c2)cc1C
InChIInChI=1S/C16H15F2NOS/c1-10-3-4-15(5-11(10)2)21-9-16(20)19-14-7-12(17)6-13(18)8-14/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyDAWHPYFUNVEVQM-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2591501
N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35042477
2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7456554
4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2674334
N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708525
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79147675
2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide
CID 9271687
N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712476
2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 2708523
2-(3,4-dimethylphenyl)sulfanyl-N-prop-2-ynylacetamide
CID 26579620
2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 28635923

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide (CID 36553979) is N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2cc(F)cc(F)c2)cc1C.
What is the InChIKey of N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The InChIKey is DAWHPYFUNVEVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NOS/c1-10-3-4-15(5-11(10)2)21-9-16(20)19-14-7-12(17)6-13(18)8-14/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide has a molecular weight of 307.37 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 36553979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).