(5-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C17H17NOS — CID 24686496

IUPAC(5-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)s1
InChIInChI=1S/C17H17NOS/c1-13-7-8-16(20-13)17(19)18-11-9-15(10-12-18)14-5-3-2-4-6-14/h2-9H,10-12H2,1H3
InChIKeyGJKLBZCBXLYFFU-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.99
Rot. Bonds2

About (5-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(5-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 24686496) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID24686496
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name(5-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)s1
InChIInChI=1S/C17H17NOS/c1-13-7-8-16(20-13)17(19)18-11-9-15(10-12-18)14-5-3-2-4-6-14/h2-9H,10-12H2,1H3
InChIKeyGJKLBZCBXLYFFU-UHFFFAOYSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (5-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 24686496) is (5-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (5-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (5-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is Cc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is GJKLBZCBXLYFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-13-7-8-16(20-13)17(19)18-11-9-15(10-12-18)14-5-3-2-4-6-14/h2-9H,10-12H2,1H3.
What are the key properties of (5-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(5-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 283.40 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 24686496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).