N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide

C13H17NO2S — CID 110778617

IUPACN-(4-ethylsulfanylphenyl)oxolane-2-carboxamide
SMILESCCSc1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C13H17NO2S/c1-2-17-11-7-5-10(6-8-11)14-13(15)12-4-3-9-16-12/h5-8,12H,2-4,9H2,1H3,(H,14,15)
InChIKeyQTUOJXPBTDTQHJ-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.92
Rot. Bonds4

About N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide

N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide (PubChem CID 110778617) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylphenyl)oxolane-2-carboxamide
PubChem CID110778617
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-(4-ethylsulfanylphenyl)oxolane-2-carboxamide
SMILESCCSc1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C13H17NO2S/c1-2-17-11-7-5-10(6-8-11)14-13(15)12-4-3-9-16-12/h5-8,12H,2-4,9H2,1H3,(H,14,15)
InChIKeyQTUOJXPBTDTQHJ-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide
CID 110784547
(2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide
CID 8701259
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]oxolane-2-carboxamide
CID 24658670
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447
N-phenyloxolane-2-carboxamide
CID 3453643
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide
CID 106910070
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
N-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 3242998

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide (CID 110778617) is N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide is CCSc1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide?
The InChIKey is QTUOJXPBTDTQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-2-17-11-7-5-10(6-8-11)14-13(15)12-4-3-9-16-12/h5-8,12H,2-4,9H2,1H3,(H,14,15).
What are the key properties of N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide?
N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 110778617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).