5-[4-(4-methoxyoxan-4-yl)thiophen-2-yl]sulfanyl-1,3-dihydroinden-2-one

C19H20O3S2 — CID 54504693

IUPAC5-[4-(4-methoxyoxan-4-yl)thiophen-2-yl]sulfanyl-1,3-dihydroinden-2-one
SMILESCOC1(c2csc(Sc3ccc4c(c3)CC(=O)C4)c2)CCOCC1
InChIInChI=1S/C19H20O3S2/c1-21-19(4-6-22-7-5-19)15-11-18(23-12-15)24-17-3-2-13-8-16(20)9-14(13)10-17/h2-3,10-12H,4-9H2,1H3
InChIKeyYEWCPABOYYWTGJ-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.22
Rot. Bonds4

About 5-[4-(4-methoxyoxan-4-yl)thiophen-2-yl]sulfanyl-1,3-dihydroinden-2-one

5-[4-(4-methoxyoxan-4-yl)thiophen-2-yl]sulfanyl-1,3-dihydroinden-2-one (PubChem CID 54504693) has the molecular formula C19H20O3S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 5-[4-(4-methoxyoxan-4-yl)thiophen-2-yl]sulfanyl-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name5-[4-(4-methoxyoxan-4-yl)thiophen-2-yl]sulfanyl-1,3-dihydroinden-2-one
PubChem CID54504693
Molecular FormulaC19H20O3S2
Molecular Weight360.50 g/mol
Exact Mass360.09
IUPAC Name5-[4-(4-methoxyoxan-4-yl)thiophen-2-yl]sulfanyl-1,3-dihydroinden-2-one
SMILESCOC1(c2csc(Sc3ccc4c(c3)CC(=O)C4)c2)CCOCC1
InChIInChI=1S/C19H20O3S2/c1-21-19(4-6-22-7-5-19)15-11-18(23-12-15)24-17-3-2-13-8-16(20)9-14(13)10-17/h2-3,10-12H,4-9H2,1H3
InChIKeyYEWCPABOYYWTGJ-UHFFFAOYSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyoxan-4-yl)thiophen-2-yl]sulfanyl-1,3-dihydroinden-2-one?
The IUPAC name of 5-[4-(4-methoxyoxan-4-yl)thiophen-2-yl]sulfanyl-1,3-dihydroinden-2-one (CID 54504693) is 5-[4-(4-methoxyoxan-4-yl)thiophen-2-yl]sulfanyl-1,3-dihydroinden-2-one.
What is the SMILES notation for 5-[4-(4-methoxyoxan-4-yl)thiophen-2-yl]sulfanyl-1,3-dihydroinden-2-one?
The canonical SMILES for 5-[4-(4-methoxyoxan-4-yl)thiophen-2-yl]sulfanyl-1,3-dihydroinden-2-one is COC1(c2csc(Sc3ccc4c(c3)CC(=O)C4)c2)CCOCC1.
What is the InChIKey of 5-[4-(4-methoxyoxan-4-yl)thiophen-2-yl]sulfanyl-1,3-dihydroinden-2-one?
The InChIKey is YEWCPABOYYWTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3S2/c1-21-19(4-6-22-7-5-19)15-11-18(23-12-15)24-17-3-2-13-8-16(20)9-14(13)10-17/h2-3,10-12H,4-9H2,1H3.
What are the key properties of 5-[4-(4-methoxyoxan-4-yl)thiophen-2-yl]sulfanyl-1,3-dihydroinden-2-one?
5-[4-(4-methoxyoxan-4-yl)thiophen-2-yl]sulfanyl-1,3-dihydroinden-2-one has a molecular weight of 360.50 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyoxan-4-yl)thiophen-2-yl]sulfanyl-1,3-dihydroinden-2-one is sourced from PubChem (CID 54504693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).