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

C18H22N2O3S — CID 3974082

IUPAC3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESCOc1cccc(C(=O)NCC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C18H22N2O3S/c1-22-15-5-2-4-14(12-15)18(21)19-13-16(17-6-3-11-24-17)20-7-9-23-10-8-20/h2-6,11-12,16H,7-10,13H2,1H3,(H,19,21)
InChIKeyWOQSUCKVPGGOOJ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.56
Rot. Bonds6

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

3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 3974082) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID3974082
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESCOc1cccc(C(=O)NCC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C18H22N2O3S/c1-22-15-5-2-4-14(12-15)18(21)19-13-16(17-6-3-11-24-17)20-7-9-23-10-8-20/h2-6,11-12,16H,7-10,13H2,1H3,(H,19,21)
InChIKeyWOQSUCKVPGGOOJ-UHFFFAOYSA-N
XLogP2.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (CID 3974082) is 3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is COc1cccc(C(=O)NCC(c2cccs2)N2CCOCC2)c1.
What is the InChIKey of 3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is WOQSUCKVPGGOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-22-15-5-2-4-14(12-15)18(21)19-13-16(17-6-3-11-24-17)20-7-9-23-10-8-20/h2-6,11-12,16H,7-10,13H2,1H3,(H,19,21).
What are the key properties of 3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 3974082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).