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

C17H17NOS — CID 24978700

IUPAC(3-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1ccsc1C(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C17H17NOS/c1-13-9-12-20-16(13)17(19)18-10-7-15(8-11-18)14-5-3-2-4-6-14/h2-7,9,12H,8,10-11H2,1H3
InChIKeyBVYFETJDQYUOAD-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.99
Rot. Bonds2

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

(3-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 24978700) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID24978700
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name(3-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1ccsc1C(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C17H17NOS/c1-13-9-12-20-16(13)17(19)18-10-7-15(8-11-18)14-5-3-2-4-6-14/h2-7,9,12H,8,10-11H2,1H3
InChIKeyBVYFETJDQYUOAD-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 (3-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (3-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 24978700) is (3-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (3-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is Cc1ccsc1C(=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of (3-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is BVYFETJDQYUOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-13-9-12-20-16(13)17(19)18-10-7-15(8-11-18)14-5-3-2-4-6-14/h2-7,9,12H,8,10-11H2,1H3.
What are the key properties of (3-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(3-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 (3-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 24978700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).