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

C16H19NOS2 — CID 4779994

IUPAC2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(C)c(CSCC(=O)NCc2cccs2)c1
InChIInChI=1S/C16H19NOS2/c1-12-5-6-13(2)14(8-12)10-19-11-16(18)17-9-15-4-3-7-20-15/h3-8H,9-11H2,1-2H3,(H,17,18)
InChIKeySOWYDDIFKJDJQJ-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.91
Rot. Bonds6

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

2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4779994) has the molecular formula C16H19NOS2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4779994
Molecular FormulaC16H19NOS2
Molecular Weight305.47 g/mol
Exact Mass305.09
IUPAC Name2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(C)c(CSCC(=O)NCc2cccs2)c1
InChIInChI=1S/C16H19NOS2/c1-12-5-6-13(2)14(8-12)10-19-11-16(18)17-9-15-4-3-7-20-15/h3-8H,9-11H2,1-2H3,(H,17,18)
InChIKeySOWYDDIFKJDJQJ-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide
CID 881507
N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971490
3-(2,4-dimethylphenyl)-N-(2-thienylmethyl)acrylamide
CID 6085579
(E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67511313
N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
N-[1-(3,4-dimethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 2933240
N-[1-(4-ethylphenyl)ethyl]thiophene-2-carboxamide
CID 3504524
N-[(4-methylphenyl)methyl]-2-(thiophen-2-yl)acetamide
CID 670058
2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 4876213
N-(4-methylbenzyl)-3-(2-thienyl)acrylamide
CID 897829
(E)-N-benzyl-3-(thiophen-2-yl)acrylamide
CID 2146492
N-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide
CID 2530538

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 4779994) is 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(C)c(CSCC(=O)NCc2cccs2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SOWYDDIFKJDJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS2/c1-12-5-6-13(2)14(8-12)10-19-11-16(18)17-9-15-4-3-7-20-15/h3-8H,9-11H2,1-2H3,(H,17,18).
What are the key properties of 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 305.47 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4779994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).