N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide

C15H17NO2S — CID 107025115

IUPACN-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
SMILESO=C(NCCc1ccco1)C(S)Cc1ccccc1
InChIInChI=1S/C15H17NO2S/c17-15(16-9-8-13-7-4-10-18-13)14(19)11-12-5-2-1-3-6-12/h1-7,10,14,19H,8-9,11H2,(H,16,17)
InChIKeyBVWRZYLLACUBPS-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.48
Rot. Bonds6

About N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide

N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide (PubChem CID 107025115) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
PubChem CID107025115
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
SMILESO=C(NCCc1ccco1)C(S)Cc1ccccc1
InChIInChI=1S/C15H17NO2S/c17-15(16-9-8-13-7-4-10-18-13)14(19)11-12-5-2-1-3-6-12/h1-7,10,14,19H,8-9,11H2,(H,16,17)
InChIKeyBVWRZYLLACUBPS-UHFFFAOYSA-N
XLogP2.48
TPSA42.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(furan-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897735
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120
N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide
CID 107028408
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
CID 106410118
N-(3-hydroxybutyl)-3-phenyl-2-sulfanylpropanamide
CID 107031052
2-amino-N-[2-(furan-2-yl)ethyl]butanamide
CID 43649605
4-amino-5-[2-(furan-2-yl)ethylamino]-5-oxopentanoic acid
CID 64895823
N-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide
CID 133214091
2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61471341
2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide
CID 75520332
N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
CID 178173949
1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea
CID 8728003

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide (CID 107025115) is N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide is O=C(NCCc1ccco1)C(S)Cc1ccccc1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide?
The InChIKey is BVWRZYLLACUBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c17-15(16-9-8-13-7-4-10-18-13)14(19)11-12-5-2-1-3-6-12/h1-7,10,14,19H,8-9,11H2,(H,16,17).
What are the key properties of N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide?
N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide has a molecular weight of 275.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107025115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).