2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide

C18H24N2O3S — CID 56915787

IUPAC2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CC2COCCN2Cc2ccoc2)s1
InChIInChI=1S/C18H24N2O3S/c1-14-3-4-17(24-14)11-19(2)18(21)9-16-13-23-8-6-20(16)10-15-5-7-22-12-15/h3-5,7,12,16H,6,8-11,13H2,1-2H3
InChIKeyHUOUIHBTEWNOEL-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.90
Rot. Bonds6

About 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide

2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide (PubChem CID 56915787) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
PubChem CID56915787
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CC2COCCN2Cc2ccoc2)s1
InChIInChI=1S/C18H24N2O3S/c1-14-3-4-17(24-14)11-19(2)18(21)9-16-13-23-8-6-20(16)10-15-5-7-22-12-15/h3-5,7,12,16H,6,8-11,13H2,1-2H3
InChIKeyHUOUIHBTEWNOEL-UHFFFAOYSA-N
XLogP2.90
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide (CID 56915787) is 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide is Cc1ccc(CN(C)C(=O)CC2COCCN2Cc2ccoc2)s1.
What is the InChIKey of 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is HUOUIHBTEWNOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-14-3-4-17(24-14)11-19(2)18(21)9-16-13-23-8-6-20(16)10-15-5-7-22-12-15/h3-5,7,12,16H,6,8-11,13H2,1-2H3.
What are the key properties of 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 348.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 56915787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).