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

C16H14ClNOS — CID 38167850

IUPAC(5-chlorothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C16H14ClNOS/c17-15-7-6-14(20-15)16(19)18-10-8-13(9-11-18)12-4-2-1-3-5-12/h1-8H,9-11H2
InChIKeyOJHVQKYSAYMDOA-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.33
Rot. Bonds2

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

(5-chlorothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 38167850) has the molecular formula C16H14ClNOS and a molecular weight of 303.81 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID38167850
Molecular FormulaC16H14ClNOS
Molecular Weight303.81 g/mol
Exact Mass303.05
IUPAC Name(5-chlorothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C16H14ClNOS/c17-15-7-6-14(20-15)16(19)18-10-8-13(9-11-18)12-4-2-1-3-5-12/h1-8H,9-11H2
InChIKeyOJHVQKYSAYMDOA-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 38167850) is (5-chlorothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1ccc(Cl)s1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is OJHVQKYSAYMDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNOS/c17-15-7-6-14(20-15)16(19)18-10-8-13(9-11-18)12-4-2-1-3-5-12/h1-8H,9-11H2.
What are the key properties of (5-chlorothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(5-chlorothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 303.81 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 38167850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).