N-[5-ethyl-3-(morpholin-4-ylmethyl)thiophen-2-yl]benzamide

C18H22N2O2S — CID 699971

IUPACN-[5-ethyl-3-(morpholin-4-ylmethyl)thiophen-2-yl]benzamide
SMILESCCc1cc(CN2CCOCC2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C18H22N2O2S/c1-2-16-12-15(13-20-8-10-22-11-9-20)18(23-16)19-17(21)14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3,(H,19,21)
InChIKeyPQDZDZXLHZWHPH-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.39
Rot. Bonds5

About N-[5-ethyl-3-(morpholin-4-ylmethyl)thiophen-2-yl]benzamide

N-[5-ethyl-3-(morpholin-4-ylmethyl)thiophen-2-yl]benzamide (PubChem CID 699971) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[5-ethyl-3-(morpholin-4-ylmethyl)thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(morpholin-4-ylmethyl)thiophen-2-yl]benzamide
PubChem CID699971
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[5-ethyl-3-(morpholin-4-ylmethyl)thiophen-2-yl]benzamide
SMILESCCc1cc(CN2CCOCC2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C18H22N2O2S/c1-2-16-12-15(13-20-8-10-22-11-9-20)18(23-16)19-17(21)14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3,(H,19,21)
InChIKeyPQDZDZXLHZWHPH-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(morpholin-4-ylmethyl)thiophen-2-yl]benzamide?
The IUPAC name of N-[5-ethyl-3-(morpholin-4-ylmethyl)thiophen-2-yl]benzamide (CID 699971) is N-[5-ethyl-3-(morpholin-4-ylmethyl)thiophen-2-yl]benzamide.
What is the SMILES notation for N-[5-ethyl-3-(morpholin-4-ylmethyl)thiophen-2-yl]benzamide?
The canonical SMILES for N-[5-ethyl-3-(morpholin-4-ylmethyl)thiophen-2-yl]benzamide is CCc1cc(CN2CCOCC2)c(NC(=O)c2ccccc2)s1.
What is the InChIKey of N-[5-ethyl-3-(morpholin-4-ylmethyl)thiophen-2-yl]benzamide?
The InChIKey is PQDZDZXLHZWHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-2-16-12-15(13-20-8-10-22-11-9-20)18(23-16)19-17(21)14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3,(H,19,21).
What are the key properties of N-[5-ethyl-3-(morpholin-4-ylmethyl)thiophen-2-yl]benzamide?
N-[5-ethyl-3-(morpholin-4-ylmethyl)thiophen-2-yl]benzamide has a molecular weight of 330.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-(morpholin-4-ylmethyl)thiophen-2-yl]benzamide is sourced from PubChem (CID 699971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).