(4-chlorophenyl)-(4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C17H18ClNOS — CID 2739358

IUPAC(4-chlorophenyl)-(4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCCCC1c2ccsc2CCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNOS/c1-2-3-15-14-9-11-21-16(14)8-10-19(15)17(20)12-4-6-13(18)7-5-12/h4-7,9,11,15H,2-3,8,10H2,1H3
InChIKeyIJVPHAJQDYIVTO-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.94
Rot. Bonds3

About (4-chlorophenyl)-(4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

(4-chlorophenyl)-(4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 2739358) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID2739358
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC Name(4-chlorophenyl)-(4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCCCC1c2ccsc2CCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNOS/c1-2-3-15-14-9-11-21-16(14)8-10-19(15)17(20)12-4-6-13(18)7-5-12/h4-7,9,11,15H,2-3,8,10H2,1H3
InChIKeyIJVPHAJQDYIVTO-UHFFFAOYSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 2739358) is (4-chlorophenyl)-(4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is CCCC1c2ccsc2CCN1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-(4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is IJVPHAJQDYIVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-2-3-15-14-9-11-21-16(14)8-10-19(15)17(20)12-4-6-13(18)7-5-12/h4-7,9,11,15H,2-3,8,10H2,1H3.
What are the key properties of (4-chlorophenyl)-(4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(4-chlorophenyl)-(4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 319.86 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 2739358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).