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

C23H24N2O4S — CID 155542952

IUPACN-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCOc1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C23H24N2O4S/c1-27-17-6-4-15(5-7-17)22-20-9-11-30-21(20)8-10-25(22)23(26)24-16-12-18(28-2)14-19(13-16)29-3/h4-7,9,11-14,22H,8,10H2,1-3H3,(H,24,26)
InChIKeyMLLGHRGDFKXYKT-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.95
Rot. Bonds5

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

N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 155542952) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID155542952
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCOc1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C23H24N2O4S/c1-27-17-6-4-15(5-7-17)22-20-9-11-30-21(20)8-10-25(22)23(26)24-16-12-18(28-2)14-19(13-16)29-3/h4-7,9,11-14,22H,8,10H2,1-3H3,(H,24,26)
InChIKeyMLLGHRGDFKXYKT-UHFFFAOYSA-N
XLogP4.95
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 155542952) is N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is COc1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is MLLGHRGDFKXYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-27-17-6-4-15(5-7-17)22-20-9-11-30-21(20)8-10-25(22)23(26)24-16-12-18(28-2)14-19(13-16)29-3/h4-7,9,11-14,22H,8,10H2,1-3H3,(H,24,26).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 155542952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).