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

C25H24N2O4S — CID 71450522

IUPACN-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-phenylbenzamide
SMILESO=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCOC2)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H24N2O4S/c28-23(19-9-5-4-8-18(19)17-6-2-1-3-7-17)26-24-22(20-10-13-31-16-21(20)32-24)25(29)27-11-14-30-15-12-27/h1-9H,10-16H2,(H,26,28)
InChIKeyMJPHZXIWWOTKGT-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.21
Rot. Bonds4

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

N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-phenylbenzamide (PubChem CID 71450522) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-phenylbenzamide
PubChem CID71450522
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC NameN-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-phenylbenzamide
SMILESO=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCOC2)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H24N2O4S/c28-23(19-9-5-4-8-18(19)17-6-2-1-3-7-17)26-24-22(20-10-13-31-16-21(20)32-24)25(29)27-11-14-30-15-12-27/h1-9H,10-16H2,(H,26,28)
InChIKeyMJPHZXIWWOTKGT-UHFFFAOYSA-N
XLogP4.21
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-phenylbenzamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-phenylbenzamide (CID 71450522) is N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-phenylbenzamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-phenylbenzamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-phenylbenzamide is O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCOC2)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-phenylbenzamide?
The InChIKey is MJPHZXIWWOTKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c28-23(19-9-5-4-8-18(19)17-6-2-1-3-7-17)26-24-22(20-10-13-31-16-21(20)32-24)25(29)27-11-14-30-15-12-27/h1-9H,10-16H2,(H,26,28).
What are the key properties of N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-phenylbenzamide?
N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-phenylbenzamide has a molecular weight of 448.54 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-phenylbenzamide is sourced from PubChem (CID 71450522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).