2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide

C16H17NOS2 — CID 738709

IUPAC2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CSc2ccc(C)cc2)c1
InChIInChI=1S/C16H17NOS2/c1-12-6-8-14(9-7-12)20-11-16(18)17-13-4-3-5-15(10-13)19-2/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyMHLWBPYCLXBONT-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.45
Rot. Bonds5

About 2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide

2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 738709) has the molecular formula C16H17NOS2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
PubChem CID738709
Molecular FormulaC16H17NOS2
Molecular Weight303.45 g/mol
Exact Mass303.08
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CSc2ccc(C)cc2)c1
InChIInChI=1S/C16H17NOS2/c1-12-6-8-14(9-7-12)20-11-16(18)17-13-4-3-5-15(10-13)19-2/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyMHLWBPYCLXBONT-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 46568360
2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 18901028
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 112762736
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 2685083
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
N,N-dimethyl-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 32849543
ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate
CID 9228238
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966
4-[2-(3-methylanilino)-2-oxoethyl]sulfanylbenzoic acid
CID 28513538
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
N-[3-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907057

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide (CID 738709) is 2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CSc2ccc(C)cc2)c1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is MHLWBPYCLXBONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS2/c1-12-6-8-14(9-7-12)20-11-16(18)17-13-4-3-5-15(10-13)19-2/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide?
2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 303.45 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 738709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).