N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide

C22H25NO4S — CID 9203913

IUPACN-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C22H25NO4S/c1-5-23(22(24)19-11-15(2)27-16(19)3)13-17-8-9-20(21(12-17)25-4)26-14-18-7-6-10-28-18/h6-12H,5,13-14H2,1-4H3
InChIKeyPXPOJJXWMGCHCE-UHFFFAOYSA-N
MW399.51 g/mol
LogP5.21
Rot. Bonds8

About N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide

N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 9203913) has the molecular formula C22H25NO4S and a molecular weight of 399.51 g/mol. Its IUPAC name is N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID9203913
Molecular FormulaC22H25NO4S
Molecular Weight399.51 g/mol
Exact Mass399.15
IUPAC NameN-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C22H25NO4S/c1-5-23(22(24)19-11-15(2)27-16(19)3)13-17-8-9-20(21(12-17)25-4)26-14-18-7-6-10-28-18/h6-12H,5,13-14H2,1-4H3
InChIKeyPXPOJJXWMGCHCE-UHFFFAOYSA-N
XLogP5.21
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.51
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide (CID 9203913) is N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide is CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cc(C)oc1C.
What is the InChIKey of N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is PXPOJJXWMGCHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4S/c1-5-23(22(24)19-11-15(2)27-16(19)3)13-17-8-9-20(21(12-17)25-4)26-14-18-7-6-10-28-18/h6-12H,5,13-14H2,1-4H3.
What are the key properties of N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide?
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 399.51 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 9203913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).