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

C23H24N2O2S — CID 155561534

IUPACN-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCOc1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C23H24N2O2S/c1-15-12-16(2)14-18(13-15)24-23(26)25-10-8-21-20(9-11-28-21)22(25)17-4-6-19(27-3)7-5-17/h4-7,9,11-14,22H,8,10H2,1-3H3,(H,24,26)
InChIKeyUSEVLZOURVEHSL-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.55
Rot. Bonds3

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

N-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 155561534) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID155561534
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCOc1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C23H24N2O2S/c1-15-12-16(2)14-18(13-15)24-23(26)25-10-8-21-20(9-11-28-21)22(25)17-4-6-19(27-3)7-5-17/h4-7,9,11-14,22H,8,10H2,1-3H3,(H,24,26)
InChIKeyUSEVLZOURVEHSL-UHFFFAOYSA-N
XLogP5.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 155561534) is N-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is COc1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is USEVLZOURVEHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-15-12-16(2)14-18(13-15)24-23(26)25-10-8-21-20(9-11-28-21)22(25)17-4-6-19(27-3)7-5-17/h4-7,9,11-14,22H,8,10H2,1-3H3,(H,24,26).
What are the key properties of N-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 155561534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).