N-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide

C13H16ClNO2S — CID 111477066

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)C1CCCS1
InChIInChI=1S/C13H16ClNO2S/c14-10-5-3-9(4-6-10)11(16)8-15-13(17)12-2-1-7-18-12/h3-6,11-12,16H,1-2,7-8H2,(H,15,17)
InChIKeyOHFGKUUFUAPYGJ-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.39
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide (PubChem CID 111477066) has the molecular formula C13H16ClNO2S and a molecular weight of 285.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide
PubChem CID111477066
Molecular FormulaC13H16ClNO2S
Molecular Weight285.80 g/mol
Exact Mass285.06
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)C1CCCS1
InChIInChI=1S/C13H16ClNO2S/c14-10-5-3-9(4-6-10)11(16)8-15-13(17)12-2-1-7-18-12/h3-6,11-12,16H,1-2,7-8H2,(H,15,17)
InChIKeyOHFGKUUFUAPYGJ-UHFFFAOYSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea
CID 14458365
N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 110887592
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide
CID 110885456
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(thiolan-2-yl)methanone
CID 111477424
3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119720221
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide
CID 166414513
1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110885515
2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone
CID 80621705
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 110931258

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide (CID 111477066) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide is O=C(NCC(O)c1ccc(Cl)cc1)C1CCCS1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide?
The InChIKey is OHFGKUUFUAPYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2S/c14-10-5-3-9(4-6-10)11(16)8-15-13(17)12-2-1-7-18-12/h3-6,11-12,16H,1-2,7-8H2,(H,15,17).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide has a molecular weight of 285.80 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide is sourced from PubChem (CID 111477066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).