N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide

C14H19NO2S — CID 110784547

IUPACN-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide
SMILESCCSc1ccc(CNC(=O)C2CCCO2)cc1
InChIInChI=1S/C14H19NO2S/c1-2-18-12-7-5-11(6-8-12)10-15-14(16)13-4-3-9-17-13/h5-8,13H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyBOSCWANLNVVIPA-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.59
Rot. Bonds5

About N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide

N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide (PubChem CID 110784547) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide
PubChem CID110784547
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide
SMILESCCSc1ccc(CNC(=O)C2CCCO2)cc1
InChIInChI=1S/C14H19NO2S/c1-2-18-12-7-5-11(6-8-12)10-15-14(16)13-4-3-9-17-13/h5-8,13H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyBOSCWANLNVVIPA-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide
CID 110778617
N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide
CID 110780449
N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide
CID 110784564
N-[[4-(methylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide
CID 47160865
N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 110790566
N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 110405121
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 42891527
(2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide
CID 170159902
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 47042015
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 110794531

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide (CID 110784547) is N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide is CCSc1ccc(CNC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide?
The InChIKey is BOSCWANLNVVIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-2-18-12-7-5-11(6-8-12)10-15-14(16)13-4-3-9-17-13/h5-8,13H,2-4,9-10H2,1H3,(H,15,16).
What are the key properties of N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide?
N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 110784547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).