2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide

C16H17NOS — CID 18138315

IUPAC2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide
SMILESCc1ccc(C)c(SC(C(N)=O)c2ccccc2)c1
InChIInChI=1S/C16H17NOS/c1-11-8-9-12(2)14(10-11)19-15(16(17)18)13-6-4-3-5-7-13/h3-10,15H,1-2H3,(H2,17,18)
InChIKeyNYMIKPLEJGNAEM-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.62
Rot. Bonds4

About 2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide

2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide (PubChem CID 18138315) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide
PubChem CID18138315
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide
SMILESCc1ccc(C)c(SC(C(N)=O)c2ccccc2)c1
InChIInChI=1S/C16H17NOS/c1-11-8-9-12(2)14(10-11)19-15(16(17)18)13-6-4-3-5-7-13/h3-10,15H,1-2H3,(H2,17,18)
InChIKeyNYMIKPLEJGNAEM-UHFFFAOYSA-N
XLogP3.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

S-(2,5-dimethylphenyl) carbamothioate
CID 117035966
2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine
CID 55017309
(2-amino-2-oxo-1-phenylethyl) 2-(2,5-dimethylphenyl)sulfanylacetate
CID 16595248
(2R)-2-methylsulfanyl-2-phenylacetamide
CID 101026307
2-(2,5-dimethylphenyl)sulfanylpropanoic acid
CID 16785629
2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
CID 18136130
(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenylacetamide
CID 41332371
(2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide
CID 2675662
2-(2,5-dimethylphenyl)sulfanyl-1-phenylethanamine
CID 55241118
(2-amino-2-oxo-1-phenylethyl) 2,5-dimethylbenzoate
CID 42886743
1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone
CID 119374247
2-(4-fluorophenyl)-2-(2-hydroxyphenyl)sulfanylacetamide
CID 71981299

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide (CID 18138315) is 2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide is Cc1ccc(C)c(SC(C(N)=O)c2ccccc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide?
The InChIKey is NYMIKPLEJGNAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-11-8-9-12(2)14(10-11)19-15(16(17)18)13-6-4-3-5-7-13/h3-10,15H,1-2H3,(H2,17,18).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide?
2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide has a molecular weight of 271.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 18138315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).