2-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]benzamide

C20H22N2O4S — CID 71454141

IUPAC2-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCOC2
InChIInChI=1S/C20H22N2O4S/c1-13-4-2-3-5-14(13)18(23)21-19-17(15-6-9-26-12-16(15)27-19)20(24)22-7-10-25-11-8-22/h2-5H,6-12H2,1H3,(H,21,23)
InChIKeyGUUZUGFVBBTFNU-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.85
Rot. Bonds3

About 2-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]benzamide

2-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]benzamide (PubChem CID 71454141) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]benzamide
PubChem CID71454141
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name2-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCOC2
InChIInChI=1S/C20H22N2O4S/c1-13-4-2-3-5-14(13)18(23)21-19-17(15-6-9-26-12-16(15)27-19)20(24)22-7-10-25-11-8-22/h2-5H,6-12H2,1H3,(H,21,23)
InChIKeyGUUZUGFVBBTFNU-UHFFFAOYSA-N
XLogP2.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]benzamide (CID 71454141) is 2-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]benzamide is Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCOC2.
What is the InChIKey of 2-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]benzamide?
The InChIKey is GUUZUGFVBBTFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13-4-2-3-5-14(13)18(23)21-19-17(15-6-9-26-12-16(15)27-19)20(24)22-7-10-25-11-8-22/h2-5H,6-12H2,1H3,(H,21,23).
What are the key properties of 2-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]benzamide?
2-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]benzamide has a molecular weight of 386.47 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]benzamide is sourced from PubChem (CID 71454141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).