N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-methoxybenzamide

C19H24N2O2S — CID 19093840

IUPACN-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN2C(C)Cc3ccsc3C2C)cc1
InChIInChI=1S/C19H24N2O2S/c1-13-12-16-8-11-24-18(16)14(2)21(13)10-9-20-19(22)15-4-6-17(23-3)7-5-15/h4-8,11,13-14H,9-10,12H2,1-3H3,(H,20,22)
InChIKeyBEKAJMRCATUBKT-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.49
Rot. Bonds5

About N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-methoxybenzamide

N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-methoxybenzamide (PubChem CID 19093840) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-methoxybenzamide
PubChem CID19093840
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN2C(C)Cc3ccsc3C2C)cc1
InChIInChI=1S/C19H24N2O2S/c1-13-12-16-8-11-24-18(16)14(2)21(13)10-9-20-19(22)15-4-6-17(23-3)7-5-15/h4-8,11,13-14H,9-10,12H2,1-3H3,(H,20,22)
InChIKeyBEKAJMRCATUBKT-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-methoxybenzamide (CID 19093840) is N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCN2C(C)Cc3ccsc3C2C)cc1.
What is the InChIKey of N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-methoxybenzamide?
The InChIKey is BEKAJMRCATUBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-12-16-8-11-24-18(16)14(2)21(13)10-9-20-19(22)15-4-6-17(23-3)7-5-15/h4-8,11,13-14H,9-10,12H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-methoxybenzamide?
N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-methoxybenzamide has a molecular weight of 344.48 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 19093840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).