N-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide

C14H19NO2S — CID 71926113

IUPACN-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCCS2)cc1
InChIInChI=1S/C14H19NO2S/c1-17-12-6-4-11(5-7-12)8-9-15-14(16)13-3-2-10-18-13/h4-7,13H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyZYDRKNYRAPMSII-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.25
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide

N-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide (PubChem CID 71926113) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide
PubChem CID71926113
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCCS2)cc1
InChIInChI=1S/C14H19NO2S/c1-17-12-6-4-11(5-7-12)8-9-15-14(16)13-3-2-10-18-13/h4-7,13H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyZYDRKNYRAPMSII-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-[(4-methoxyphenyl)methyl]thiane-2-carboxamide
CID 110851628
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
2-amino-N-[2-(4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64817742
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
(2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide
CID 124626441
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 110648512
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713699
N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79382747
3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119673157
N-[(4-methylphenyl)methyl]thiolane-2-carboxamide
CID 110850879
1-[(E)-2-cyclopentylethenyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108911678
1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108913488

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide (CID 71926113) is N-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide is COc1ccc(CCNC(=O)C2CCCS2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide?
The InChIKey is ZYDRKNYRAPMSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-17-12-6-4-11(5-7-12)8-9-15-14(16)13-3-2-10-18-13/h4-7,13H,2-3,8-10H2,1H3,(H,15,16).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]thiolane-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-methoxyphenyl)ethyl]thiolane-2-carboxamide is sourced from PubChem (CID 71926113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).