N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide

C15H18N2O3S — CID 71919520

IUPACN-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCc2ccco2)CC(c2ccsc2)O1
InChIInChI=1S/C15H18N2O3S/c1-11-8-17(9-14(20-11)12-4-6-21-10-12)15(18)16-7-13-3-2-5-19-13/h2-6,10-11,14H,7-9H2,1H3,(H,16,18)
InChIKeyCMMNYBYGERPHOB-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.01
Rot. Bonds3

About N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide

N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide (PubChem CID 71919520) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
PubChem CID71919520
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCc2ccco2)CC(c2ccsc2)O1
InChIInChI=1S/C15H18N2O3S/c1-11-8-17(9-14(20-11)12-4-6-21-10-12)15(18)16-7-13-3-2-5-19-13/h2-6,10-11,14H,7-9H2,1H3,(H,16,18)
InChIKeyCMMNYBYGERPHOB-UHFFFAOYSA-N
XLogP3.01
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide (CID 71919520) is N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide is CC1CN(C(=O)NCc2ccco2)CC(c2ccsc2)O1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
The InChIKey is CMMNYBYGERPHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-8-17(9-14(20-11)12-4-6-21-10-12)15(18)16-7-13-3-2-5-19-13/h2-6,10-11,14H,7-9H2,1H3,(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide is sourced from PubChem (CID 71919520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).