N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide

C14H19NO2S — CID 110790566

IUPACN-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
SMILESCSc1ccc(CCNC(=O)C2CCCO2)cc1
InChIInChI=1S/C14H19NO2S/c1-18-12-6-4-11(5-7-12)8-9-15-14(16)13-3-2-10-17-13/h4-7,13H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyGVFALZJYXGDZGK-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.25
Rot. Bonds5

About N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide

N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide (PubChem CID 110790566) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
PubChem CID110790566
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
SMILESCSc1ccc(CCNC(=O)C2CCCO2)cc1
InChIInChI=1S/C14H19NO2S/c1-18-12-6-4-11(5-7-12)8-9-15-14(16)13-3-2-10-17-13/h4-7,13H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyGVFALZJYXGDZGK-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 110790725
(2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide
CID 96587677
N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide
CID 110294429
2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255885
4-[2-(oxane-2-carbonylamino)ethyl]benzenesulfonyl chloride
CID 62213685
N-[2-(4-methoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110787404
(2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide
CID 51725560
N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide
CID 110784547
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
CID 113055726
(2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 38920001
N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 110482448
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide (CID 110790566) is N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide is CSc1ccc(CCNC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is GVFALZJYXGDZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-18-12-6-4-11(5-7-12)8-9-15-14(16)13-3-2-10-17-13/h4-7,13H,2-3,8-10H2,1H3,(H,15,16).
What are the key properties of N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide?
N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 110790566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).