N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide

C14H14ClNO2S — CID 2741886

IUPACN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide
SMILESO=C(NCCSCc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C14H14ClNO2S/c15-12-5-3-11(4-6-12)10-19-9-7-16-14(17)13-2-1-8-18-13/h1-6,8H,7,9-10H2,(H,16,17)
InChIKeyZLSVDRZOHUGDIR-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.60
Rot. Bonds6

About N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide

N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide (PubChem CID 2741886) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide
PubChem CID2741886
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide
SMILESO=C(NCCSCc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C14H14ClNO2S/c15-12-5-3-11(4-6-12)10-19-9-7-16-14(17)13-2-1-8-18-13/h1-6,8H,7,9-10H2,(H,16,17)
InChIKeyZLSVDRZOHUGDIR-UHFFFAOYSA-N
XLogP3.60
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide (CID 2741886) is N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide is O=C(NCCSCc1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide?
The InChIKey is ZLSVDRZOHUGDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c15-12-5-3-11(4-6-12)10-19-9-7-16-14(17)13-2-1-8-18-13/h1-6,8H,7,9-10H2,(H,16,17).
What are the key properties of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide?
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide has a molecular weight of 295.79 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 2741886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).