N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide

C13H17NO2S — CID 131889204

IUPACN-(2-ethylsulfanylphenyl)oxolane-3-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CCOC1
InChIInChI=1S/C13H17NO2S/c1-2-17-12-6-4-3-5-11(12)14-13(15)10-7-8-16-9-10/h3-6,10H,2,7-9H2,1H3,(H,14,15)
InChIKeyRCNOQIMATWNMLG-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.77
Rot. Bonds4

About N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide

N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide (PubChem CID 131889204) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)oxolane-3-carboxamide
PubChem CID131889204
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-(2-ethylsulfanylphenyl)oxolane-3-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CCOC1
InChIInChI=1S/C13H17NO2S/c1-2-17-12-6-4-3-5-11(12)14-13(15)10-7-8-16-9-10/h3-6,10H,2,7-9H2,1H3,(H,14,15)
InChIKeyRCNOQIMATWNMLG-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide
CID 94624117
N-[2-[1-(ethylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 61272378
N-(2-ethylsulfanylphenyl)oxolan-3-amine
CID 63335369
2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide
CID 82239236
(3R)-N-(2-ethylsulfanylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7463995
2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide
CID 64823573
N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 131949045
1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 99951546
N-(2,3-dichlorophenyl)oxolane-3-carboxamide
CID 75921085
1-[(2-chlorophenyl)methyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 46776827
1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 131888945
(2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94624136

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide (CID 131889204) is N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide is CCSc1ccccc1NC(=O)C1CCOC1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide?
The InChIKey is RCNOQIMATWNMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-2-17-12-6-4-3-5-11(12)14-13(15)10-7-8-16-9-10/h3-6,10H,2,7-9H2,1H3,(H,14,15).
What are the key properties of N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide?
N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 131889204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).