2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide

C16H25NOS — CID 115612499

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide
SMILESCCC(CC)CNC(=O)CSc1cc(C)ccc1C
InChIInChI=1S/C16H25NOS/c1-5-14(6-2)10-17-16(18)11-19-15-9-12(3)7-8-13(15)4/h7-9,14H,5-6,10-11H2,1-4H3,(H,17,18)
InChIKeyCQORVXNQIKDOMN-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.95
Rot. Bonds7

About 2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide

2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide (PubChem CID 115612499) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide
PubChem CID115612499
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide
SMILESCCC(CC)CNC(=O)CSc1cc(C)ccc1C
InChIInChI=1S/C16H25NOS/c1-5-14(6-2)10-17-16(18)11-19-15-9-12(3)7-8-13(15)4/h7-9,14H,5-6,10-11H2,1-4H3,(H,17,18)
InChIKeyCQORVXNQIKDOMN-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725594
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119508375
2-[[2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]acetyl]amino]acetic acid
CID 43387450
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]butanoic acid
CID 43387165
2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109465
2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide
CID 119448232
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
2-(2,5-dimethylphenyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80708396
N-(2-ethylbutyl)-2-phenylsulfanylacetamide
CID 115612630
2-(2,5-dimethylphenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390415
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-2-methylbutanoic acid
CID 79792319
N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2708614

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide (CID 115612499) is 2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide is CCC(CC)CNC(=O)CSc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide?
The InChIKey is CQORVXNQIKDOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-5-14(6-2)10-17-16(18)11-19-15-9-12(3)7-8-13(15)4/h7-9,14H,5-6,10-11H2,1-4H3,(H,17,18).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide?
2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide has a molecular weight of 279.45 g/mol, XLogP of 3.95, 7 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-N-(2-ethylbutyl)acetamide is sourced from PubChem (CID 115612499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).