2-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide

C14H19NO2S — CID 3144141

IUPAC2-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(SCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C14H19NO2S/c1-11-4-6-13(7-5-11)18-10-14(16)15-9-12-3-2-8-17-12/h4-7,12H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyFVBDGFQFOKAJBY-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.38
Rot. Bonds5

About 2-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide

2-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3144141) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3144141
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(SCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C14H19NO2S/c1-11-4-6-13(7-5-11)18-10-14(16)15-9-12-3-2-8-17-12/h4-7,12H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyFVBDGFQFOKAJBY-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methylsulfanyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrochloride
CID 6458264
3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
CID 2948475
3-(phenylthio)-N-(tetrahydro-2-furanylmethyl)propanamide
CID 2951053
3-[(4-methylbenzyl)sulfonyl]-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 3237021
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24982764
2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 2219795
Acetamide, N-tetrahydrofurfuryl-2-phenylthio-
CID 532040
2-(benzylsulfonyl)-N-(tetrahydro-2-furanylmethyl)acetamide
CID 2952397
2,6-Dimethyl-4-{[(4-methylphenyl)thio]acetyl}morpholine
CID 2952676
3-benzylsulfonyl-N-(oxolan-2-ylmethyl)propanamide
CID 2974815
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate
CID 6151097
N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfanyl]propanamide
CID 1815577

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (CID 3144141) is 2-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc(SCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is FVBDGFQFOKAJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-11-4-6-13(7-5-11)18-10-14(16)15-9-12-3-2-8-17-12/h4-7,12H,2-3,8-10H2,1H3,(H,15,16).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
2-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 265.38 g/mol, XLogP of 2.38, 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3144141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).