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

C22H22N2O3S — CID 155528786

IUPAC(4S)-N-(3,5-dimethoxyphenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCOc1cc(NC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc(OC)c1
InChIInChI=1S/C22H22N2O3S/c1-26-17-12-16(13-18(14-17)27-2)23-22(25)24-10-8-20-19(9-11-28-20)21(24)15-6-4-3-5-7-15/h3-7,9,11-14,21H,8,10H2,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyXFVVCCFUPHXUCI-NRFANRHFSA-N
MW394.50 g/mol
LogP4.94
Rot. Bonds4

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

(4S)-N-(3,5-dimethoxyphenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 155528786) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is (4S)-N-(3,5-dimethoxyphenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(4S)-N-(3,5-dimethoxyphenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID155528786
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name(4S)-N-(3,5-dimethoxyphenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCOc1cc(NC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc(OC)c1
InChIInChI=1S/C22H22N2O3S/c1-26-17-12-16(13-18(14-17)27-2)23-22(25)24-10-8-20-19(9-11-28-20)21(24)15-6-4-3-5-7-15/h3-7,9,11-14,21H,8,10H2,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyXFVVCCFUPHXUCI-NRFANRHFSA-N
XLogP4.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3,5-dimethoxyphenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of (4S)-N-(3,5-dimethoxyphenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 155528786) is (4S)-N-(3,5-dimethoxyphenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for (4S)-N-(3,5-dimethoxyphenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for (4S)-N-(3,5-dimethoxyphenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is COc1cc(NC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc(OC)c1.
What is the InChIKey of (4S)-N-(3,5-dimethoxyphenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is XFVVCCFUPHXUCI-NRFANRHFSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-26-17-12-16(13-18(14-17)27-2)23-22(25)24-10-8-20-19(9-11-28-20)21(24)15-6-4-3-5-7-15/h3-7,9,11-14,21H,8,10H2,1-2H3,(H,23,25)/t21-/m0/s1.
What are the key properties of (4S)-N-(3,5-dimethoxyphenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
(4S)-N-(3,5-dimethoxyphenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3,5-dimethoxyphenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 155528786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).