N-[2-(furan-3-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide

C15H17NO3S — CID 71798308

IUPACN-[2-(furan-3-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCC(O)c1ccoc1
InChIInChI=1S/C15H17NO3S/c17-14(12-6-8-19-11-12)10-16-15(18)7-9-20-13-4-2-1-3-5-13/h1-6,8,11,14,17H,7,9-10H2,(H,16,18)
InChIKeyQFTBUEPTJCSMAR-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.61
Rot. Bonds7

About N-[2-(furan-3-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide

N-[2-(furan-3-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide (PubChem CID 71798308) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[2-(furan-3-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(furan-3-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide
PubChem CID71798308
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[2-(furan-3-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCC(O)c1ccoc1
InChIInChI=1S/C15H17NO3S/c17-14(12-6-8-19-11-12)10-16-15(18)7-9-20-13-4-2-1-3-5-13/h1-6,8,11,14,17H,7,9-10H2,(H,16,18)
InChIKeyQFTBUEPTJCSMAR-UHFFFAOYSA-N
XLogP2.61
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[2-(furan-3-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide (CID 71798308) is N-[2-(furan-3-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-(furan-3-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-(furan-3-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCC(O)c1ccoc1.
What is the InChIKey of N-[2-(furan-3-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide?
The InChIKey is QFTBUEPTJCSMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-14(12-6-8-19-11-12)10-16-15(18)7-9-20-13-4-2-1-3-5-13/h1-6,8,11,14,17H,7,9-10H2,(H,16,18).
What are the key properties of N-[2-(furan-3-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide?
N-[2-(furan-3-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide has a molecular weight of 291.37 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 71798308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).