5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide

C15H17NO3S — CID 19455044

IUPAC5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)NCCS)o1
InChIInChI=1S/C15H17NO3S/c1-11-4-2-3-5-13(11)18-10-12-6-7-14(19-12)15(17)16-8-9-20/h2-7,20H,8-10H2,1H3,(H,16,17)
InChIKeyQCPSEVVPGHBBOJ-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.83
Rot. Bonds6

About 5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide

5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide (PubChem CID 19455044) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
PubChem CID19455044
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)NCCS)o1
InChIInChI=1S/C15H17NO3S/c1-11-4-2-3-5-13(11)18-10-12-6-7-14(19-12)15(17)16-8-9-20/h2-7,20H,8-10H2,1H3,(H,16,17)
InChIKeyQCPSEVVPGHBBOJ-UHFFFAOYSA-N
XLogP2.83
TPSA51.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methylphenoxy)methyl]furan-2-carboxylate
CID 7015943
N-(cyclobutylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 95756411
5-[(3,4-dimethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19450857
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539
5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19455019
5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19446639
N-[3-(4-chloropyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19330323
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 35326826
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19325796
5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
CID 19453386
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19296501
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19290457

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide (CID 19455044) is 5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide is Cc1ccccc1OCc1ccc(C(=O)NCCS)o1.
What is the InChIKey of 5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide?
The InChIKey is QCPSEVVPGHBBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-11-4-2-3-5-13(11)18-10-12-6-7-14(19-12)15(17)16-8-9-20/h2-7,20H,8-10H2,1H3,(H,16,17).
What are the key properties of 5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide?
5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide has a molecular weight of 291.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide is sourced from PubChem (CID 19455044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).