N-tert-butyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C19H24N2O2S — CID 2741934

IUPACN-tert-butyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCOc1ccc(C2c3ccsc3CCN2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H24N2O2S/c1-19(2,3)20-18(22)21-11-9-16-15(10-12-24-16)17(21)13-5-7-14(23-4)8-6-13/h5-8,10,12,17H,9,11H2,1-4H3,(H,20,22)
InChIKeyGPZLXETWYWTFIY-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.21
Rot. Bonds2

About N-tert-butyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-tert-butyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 2741934) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-tert-butyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID2741934
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-tert-butyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCOc1ccc(C2c3ccsc3CCN2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H24N2O2S/c1-19(2,3)20-18(22)21-11-9-16-15(10-12-24-16)17(21)13-5-7-14(23-4)8-6-13/h5-8,10,12,17H,9,11H2,1-4H3,(H,20,22)
InChIKeyGPZLXETWYWTFIY-UHFFFAOYSA-N
XLogP4.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-tert-butyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 2741934) is N-tert-butyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-tert-butyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is COc1ccc(C2c3ccsc3CCN2C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is GPZLXETWYWTFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-19(2,3)20-18(22)21-11-9-16-15(10-12-24-16)17(21)13-5-7-14(23-4)8-6-13/h5-8,10,12,17H,9,11H2,1-4H3,(H,20,22).
What are the key properties of N-tert-butyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-tert-butyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 2741934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).