(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone

C16H15NOS — CID 2567966

IUPAC(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C16H15NOS/c18-16(15-7-4-12-19-15)17-10-8-14(9-11-17)13-5-2-1-3-6-13/h1-8,12H,9-11H2
InChIKeyQLWYCPFXOUELBN-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.68
Rot. Bonds2

About (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone

(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone (PubChem CID 2567966) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
PubChem CID2567966
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C16H15NOS/c18-16(15-7-4-12-19-15)17-10-8-14(9-11-17)13-5-2-1-3-6-13/h1-8,12H,9-11H2
InChIKeyQLWYCPFXOUELBN-UHFFFAOYSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone (CID 2567966) is (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is QLWYCPFXOUELBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c18-16(15-7-4-12-19-15)17-10-8-14(9-11-17)13-5-2-1-3-6-13/h1-8,12H,9-11H2.
What are the key properties of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone?
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 269.37 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 2567966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).