3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide

C18H22N2O2S — CID 17014741

IUPAC3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESCc1cccc(C(=O)NCC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C18H22N2O2S/c1-14-4-2-5-15(12-14)18(21)19-13-16(17-6-3-11-23-17)20-7-9-22-10-8-20/h2-6,11-12,16H,7-10,13H2,1H3,(H,19,21)
InChIKeyUWAIDGCICPHZSL-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.86
Rot. Bonds5

About 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide

3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 17014741) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID17014741
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESCc1cccc(C(=O)NCC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C18H22N2O2S/c1-14-4-2-5-15(12-14)18(21)19-13-16(17-6-3-11-23-17)20-7-9-22-10-8-20/h2-6,11-12,16H,7-10,13H2,1H3,(H,19,21)
InChIKeyUWAIDGCICPHZSL-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (CID 17014741) is 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is Cc1cccc(C(=O)NCC(c2cccs2)N2CCOCC2)c1.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is UWAIDGCICPHZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14-4-2-5-15(12-14)18(21)19-13-16(17-6-3-11-23-17)20-7-9-22-10-8-20/h2-6,11-12,16H,7-10,13H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 330.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 17014741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).