N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide

C14H19NO2S — CID 114130505

IUPACN-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)NCCC1CCOC1
InChIInChI=1S/C14H19NO2S/c16-14(9-11-1-3-13(18)4-2-11)15-7-5-12-6-8-17-10-12/h1-4,12,18H,5-10H2,(H,15,16)
InChIKeyRKJWVLLZCNSCKL-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.06
Rot. Bonds5

About N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide

N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide (PubChem CID 114130505) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
PubChem CID114130505
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)NCCC1CCOC1
InChIInChI=1S/C14H19NO2S/c16-14(9-11-1-3-13(18)4-2-11)15-7-5-12-6-8-17-10-12/h1-4,12,18H,5-10H2,(H,15,16)
InChIKeyRKJWVLLZCNSCKL-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide 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

2-(4-methylsulfanylphenyl)-N-[2-(oxolan-3-yl)ethyl]acetamide
CID 91774733
2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide
CID 114130503
N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
3-[2-[2-(oxan-3-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 136556483
5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide
CID 91776294
N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 106137813
4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415090
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088
3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
CID 124679731
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736373
4-[[3-(oxolan-3-yl)propanoylamino]methyl]benzoic acid
CID 119353374

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide (CID 114130505) is N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide is O=C(Cc1ccc(S)cc1)NCCC1CCOC1.
What is the InChIKey of N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide?
The InChIKey is RKJWVLLZCNSCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-14(9-11-1-3-13(18)4-2-11)15-7-5-12-6-8-17-10-12/h1-4,12,18H,5-10H2,(H,15,16).
What are the key properties of N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide?
N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide has a molecular weight of 265.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 114130505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).