(4-methyl-5-phenyl-2,3-dihydrothiophen-3-yl)-morpholin-4-ylmethanone

C16H19NO2S — CID 70967111

IUPAC(4-methyl-5-phenyl-2,3-dihydrothiophen-3-yl)-morpholin-4-ylmethanone
SMILESCC1=C(c2ccccc2)SCC1C(=O)N1CCOCC1
InChIInChI=1S/C16H19NO2S/c1-12-14(16(18)17-7-9-19-10-8-17)11-20-15(12)13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3
InChIKeyPCZNUDDZVWBCCZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.64
Rot. Bonds2

About (4-methyl-5-phenyl-2,3-dihydrothiophen-3-yl)-morpholin-4-ylmethanone

(4-methyl-5-phenyl-2,3-dihydrothiophen-3-yl)-morpholin-4-ylmethanone (PubChem CID 70967111) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is (4-methyl-5-phenyl-2,3-dihydrothiophen-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-methyl-5-phenyl-2,3-dihydrothiophen-3-yl)-morpholin-4-ylmethanone
PubChem CID70967111
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name(4-methyl-5-phenyl-2,3-dihydrothiophen-3-yl)-morpholin-4-ylmethanone
SMILESCC1=C(c2ccccc2)SCC1C(=O)N1CCOCC1
InChIInChI=1S/C16H19NO2S/c1-12-14(16(18)17-7-9-19-10-8-17)11-20-15(12)13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3
InChIKeyPCZNUDDZVWBCCZ-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-5-phenyl-2,3-dihydrothiophen-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-methyl-5-phenyl-2,3-dihydrothiophen-3-yl)-morpholin-4-ylmethanone (CID 70967111) is (4-methyl-5-phenyl-2,3-dihydrothiophen-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-methyl-5-phenyl-2,3-dihydrothiophen-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-methyl-5-phenyl-2,3-dihydrothiophen-3-yl)-morpholin-4-ylmethanone is CC1=C(c2ccccc2)SCC1C(=O)N1CCOCC1.
What is the InChIKey of (4-methyl-5-phenyl-2,3-dihydrothiophen-3-yl)-morpholin-4-ylmethanone?
The InChIKey is PCZNUDDZVWBCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-14(16(18)17-7-9-19-10-8-17)11-20-15(12)13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3.
What are the key properties of (4-methyl-5-phenyl-2,3-dihydrothiophen-3-yl)-morpholin-4-ylmethanone?
(4-methyl-5-phenyl-2,3-dihydrothiophen-3-yl)-morpholin-4-ylmethanone has a molecular weight of 289.40 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5-phenyl-2,3-dihydrothiophen-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 70967111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).