N-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide

C19H23NOS — CID 875236

IUPACN-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
SMILESCc1cc(C)cc(CSCC(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H23NOS/c1-13-5-14(2)8-17(7-13)11-22-12-19(21)20-18-9-15(3)6-16(4)10-18/h5-10H,11-12H2,1-4H3,(H,20,21)
InChIKeyAGLCIMVYIZLNJZ-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.79
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide

N-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide (PubChem CID 875236) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
PubChem CID875236
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC NameN-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
SMILESCc1cc(C)cc(CSCC(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H23NOS/c1-13-5-14(2)8-17(7-13)11-22-12-19(21)20-18-9-15(3)6-16(4)10-18/h5-10H,11-12H2,1-4H3,(H,20,21)
InChIKeyAGLCIMVYIZLNJZ-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 31549286
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17425092
N-(1,3-benzodioxol-5-yl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 28771218
methyl 3-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanylpropanoate
CID 8785465
1-[(3,5-dimethylphenyl)methylsulfanyl]propan-2-one
CID 79670956
4-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 82182534
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94828776
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 126190698
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 99970900
2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7699280
2-[(4-bromophenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 1248119
N-(3,5-dimethylphenyl)-2-(ethylamino)acetamide
CID 54820628

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide (CID 875236) is N-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide is Cc1cc(C)cc(CSCC(=O)Nc2cc(C)cc(C)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide?
The InChIKey is AGLCIMVYIZLNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-13-5-14(2)8-17(7-13)11-22-12-19(21)20-18-9-15(3)6-16(4)10-18/h5-10H,11-12H2,1-4H3,(H,20,21).
What are the key properties of N-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide?
N-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide has a molecular weight of 313.47 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 875236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).