[5-[(4-propylphenoxy)methyl]furan-2-yl]-thiomorpholin-4-ylmethanone

C19H23NO3S — CID 716993

IUPAC[5-[(4-propylphenoxy)methyl]furan-2-yl]-thiomorpholin-4-ylmethanone
SMILESCCCc1ccc(OCc2ccc(C(=O)N3CCSCC3)o2)cc1
InChIInChI=1S/C19H23NO3S/c1-2-3-15-4-6-16(7-5-15)22-14-17-8-9-18(23-17)19(21)20-10-12-24-13-11-20/h4-9H,2-3,10-14H2,1H3
InChIKeyATIOENCTHUBCFS-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.00
Rot. Bonds6

About [5-[(4-propylphenoxy)methyl]furan-2-yl]-thiomorpholin-4-ylmethanone

[5-[(4-propylphenoxy)methyl]furan-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 716993) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is [5-[(4-propylphenoxy)methyl]furan-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[(4-propylphenoxy)methyl]furan-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID716993
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name[5-[(4-propylphenoxy)methyl]furan-2-yl]-thiomorpholin-4-ylmethanone
SMILESCCCc1ccc(OCc2ccc(C(=O)N3CCSCC3)o2)cc1
InChIInChI=1S/C19H23NO3S/c1-2-3-15-4-6-16(7-5-15)22-14-17-8-9-18(23-17)19(21)20-10-12-24-13-11-20/h4-9H,2-3,10-14H2,1H3
InChIKeyATIOENCTHUBCFS-UHFFFAOYSA-N
XLogP4.00
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-propylphenoxy)methyl]furan-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [5-[(4-propylphenoxy)methyl]furan-2-yl]-thiomorpholin-4-ylmethanone (CID 716993) is [5-[(4-propylphenoxy)methyl]furan-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [5-[(4-propylphenoxy)methyl]furan-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [5-[(4-propylphenoxy)methyl]furan-2-yl]-thiomorpholin-4-ylmethanone is CCCc1ccc(OCc2ccc(C(=O)N3CCSCC3)o2)cc1.
What is the InChIKey of [5-[(4-propylphenoxy)methyl]furan-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is ATIOENCTHUBCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-2-3-15-4-6-16(7-5-15)22-14-17-8-9-18(23-17)19(21)20-10-12-24-13-11-20/h4-9H,2-3,10-14H2,1H3.
What are the key properties of [5-[(4-propylphenoxy)methyl]furan-2-yl]-thiomorpholin-4-ylmethanone?
[5-[(4-propylphenoxy)methyl]furan-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 345.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-propylphenoxy)methyl]furan-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 716993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).