2-(4-methylsulfanylphenyl)-N-[2-(oxolan-3-yl)ethyl]acetamide

C15H21NO2S — CID 91774733

IUPAC2-(4-methylsulfanylphenyl)-N-[2-(oxolan-3-yl)ethyl]acetamide
SMILESCSc1ccc(CC(=O)NCCC2CCOC2)cc1
InChIInChI=1S/C15H21NO2S/c1-19-14-4-2-12(3-5-14)10-15(17)16-8-6-13-7-9-18-11-13/h2-5,13H,6-11H2,1H3,(H,16,17)
InChIKeyRYDKEEKQAWVBTC-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.49
Rot. Bonds6

About 2-(4-methylsulfanylphenyl)-N-[2-(oxolan-3-yl)ethyl]acetamide

2-(4-methylsulfanylphenyl)-N-[2-(oxolan-3-yl)ethyl]acetamide (PubChem CID 91774733) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-N-[2-(oxolan-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-N-[2-(oxolan-3-yl)ethyl]acetamide
PubChem CID91774733
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name2-(4-methylsulfanylphenyl)-N-[2-(oxolan-3-yl)ethyl]acetamide
SMILESCSc1ccc(CC(=O)NCCC2CCOC2)cc1
InChIInChI=1S/C15H21NO2S/c1-19-14-4-2-12(3-5-14)10-15(17)16-8-6-13-7-9-18-11-13/h2-5,13H,6-11H2,1H3,(H,16,17)
InChIKeyRYDKEEKQAWVBTC-UHFFFAOYSA-N
XLogP2.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 114130505
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
3-(4-methylsulfanylphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide
CID 86265215
3-[2-[2-(oxan-3-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 136556483
2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide
CID 114130503
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736373
5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide
CID 91776294
2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]acetamide
CID 111647066
4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 126447960
N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide
CID 125442573
4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415090

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-N-[2-(oxolan-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methylsulfanylphenyl)-N-[2-(oxolan-3-yl)ethyl]acetamide (CID 91774733) is 2-(4-methylsulfanylphenyl)-N-[2-(oxolan-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-N-[2-(oxolan-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-N-[2-(oxolan-3-yl)ethyl]acetamide is CSc1ccc(CC(=O)NCCC2CCOC2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-N-[2-(oxolan-3-yl)ethyl]acetamide?
The InChIKey is RYDKEEKQAWVBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-19-14-4-2-12(3-5-14)10-15(17)16-8-6-13-7-9-18-11-13/h2-5,13H,6-11H2,1H3,(H,16,17).
What are the key properties of 2-(4-methylsulfanylphenyl)-N-[2-(oxolan-3-yl)ethyl]acetamide?
2-(4-methylsulfanylphenyl)-N-[2-(oxolan-3-yl)ethyl]acetamide has a molecular weight of 279.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-N-[2-(oxolan-3-yl)ethyl]acetamide is sourced from PubChem (CID 91774733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).