N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]furan-2-carboxamide

C17H20N2O4S — CID 1246218

IUPACN-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]furan-2-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2ccco2)c1C(=O)N1CCOCC1
InChIInChI=1S/C17H20N2O4S/c1-3-12-11(2)24-16(18-15(20)13-5-4-8-23-13)14(12)17(21)19-6-9-22-10-7-19/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,18,20)
InChIKeyPORQYYYLEXKYNY-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.94
Rot. Bonds4

About N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]furan-2-carboxamide

N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]furan-2-carboxamide (PubChem CID 1246218) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]furan-2-carboxamide
PubChem CID1246218
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]furan-2-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2ccco2)c1C(=O)N1CCOCC1
InChIInChI=1S/C17H20N2O4S/c1-3-12-11(2)24-16(18-15(20)13-5-4-8-23-13)14(12)17(21)19-6-9-22-10-7-19/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,18,20)
InChIKeyPORQYYYLEXKYNY-UHFFFAOYSA-N
XLogP2.94
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]furan-2-carboxamide (CID 1246218) is N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]furan-2-carboxamide is CCc1c(C)sc(NC(=O)c2ccco2)c1C(=O)N1CCOCC1.
What is the InChIKey of N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]furan-2-carboxamide?
The InChIKey is PORQYYYLEXKYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-12-11(2)24-16(18-15(20)13-5-4-8-23-13)14(12)17(21)19-6-9-22-10-7-19/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]furan-2-carboxamide?
N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]furan-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1246218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).