N-(2-ethoxyphenyl)thiolane-3-carboxamide

C13H17NO2S — CID 110860132

IUPACN-(2-ethoxyphenyl)thiolane-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCSC1
InChIInChI=1S/C13H17NO2S/c1-2-16-12-6-4-3-5-11(12)14-13(15)10-7-8-17-9-10/h3-6,10H,2,7-9H2,1H3,(H,14,15)
InChIKeyBTBJAXRLXCQIFM-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.78
Rot. Bonds4

About N-(2-ethoxyphenyl)thiolane-3-carboxamide

N-(2-ethoxyphenyl)thiolane-3-carboxamide (PubChem CID 110860132) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)thiolane-3-carboxamide
PubChem CID110860132
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-(2-ethoxyphenyl)thiolane-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCSC1
InChIInChI=1S/C13H17NO2S/c1-2-16-12-6-4-3-5-11(12)14-13(15)10-7-8-17-9-10/h3-6,10H,2,7-9H2,1H3,(H,14,15)
InChIKeyBTBJAXRLXCQIFM-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide
CID 110860155
N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide
CID 64884692
N-(2-ethoxyphenyl)thiolan-3-amine
CID 43191691
N-(2-ethoxyphenyl)-6-methylpiperidine-3-carboxamide
CID 24711526
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
N-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 2969703
1-(2-amino-2-oxoethyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16909193
4-(cyclopropanecarbonylamino)-N-(2-ethoxyphenyl)benzamide
CID 2995907
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495
2-amino-N-(2-ethoxyphenyl)cyclohexane-1-carboxamide
CID 64817550
1-N-tert-butyl-2-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139628

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)thiolane-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)thiolane-3-carboxamide (CID 110860132) is N-(2-ethoxyphenyl)thiolane-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)thiolane-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)thiolane-3-carboxamide is CCOc1ccccc1NC(=O)C1CCSC1.
What is the InChIKey of N-(2-ethoxyphenyl)thiolane-3-carboxamide?
The InChIKey is BTBJAXRLXCQIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-2-16-12-6-4-3-5-11(12)14-13(15)10-7-8-17-9-10/h3-6,10H,2,7-9H2,1H3,(H,14,15).
What are the key properties of N-(2-ethoxyphenyl)thiolane-3-carboxamide?
N-(2-ethoxyphenyl)thiolane-3-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)thiolane-3-carboxamide is sourced from PubChem (CID 110860132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).