N-[2-[(S)-hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-methoxybenzamide

C25H24N2O4S — CID 25285763

IUPACN-[2-[(S)-hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-methoxybenzamide
SMILESCOCc1cc(C)nc2sc([C@@H](O)c3ccccc3)c(NC(=O)c3ccc(OC)cc3)c12
InChIInChI=1S/C25H24N2O4S/c1-15-13-18(14-30-2)20-21(27-24(29)17-9-11-19(31-3)12-10-17)23(32-25(20)26-15)22(28)16-7-5-4-6-8-16/h4-13,22,28H,14H2,1-3H3,(H,27,29)/t22-/m0/s1
InChIKeyMBRZQZFQJFNCMU-QFIPXVFZSA-N
MW448.54 g/mol
LogP5.09
Rot. Bonds7

About N-[2-[(S)-hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-methoxybenzamide

N-[2-[(S)-hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-methoxybenzamide (PubChem CID 25285763) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-[2-[(S)-hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(S)-hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-methoxybenzamide
PubChem CID25285763
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC NameN-[2-[(S)-hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-methoxybenzamide
SMILESCOCc1cc(C)nc2sc([C@@H](O)c3ccccc3)c(NC(=O)c3ccc(OC)cc3)c12
InChIInChI=1S/C25H24N2O4S/c1-15-13-18(14-30-2)20-21(27-24(29)17-9-11-19(31-3)12-10-17)23(32-25(20)26-15)22(28)16-7-5-4-6-8-16/h4-13,22,28H,14H2,1-3H3,(H,27,29)/t22-/m0/s1
InChIKeyMBRZQZFQJFNCMU-QFIPXVFZSA-N
XLogP5.09
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-methoxybenzamide
CID 5304203
N-[2-(4-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide
CID 42648368
N-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide
CID 16761636
N-[2-(N-butyl-C-phenylcarbonimidoyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-nitrobenzamide
CID 16761605
N-[2-[butylamino(phenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridin-3-yl]benzamide
CID 16761885
3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 1093411
ethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 5299683
3-amino-N-(2-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 126069710
3-amino-N-(4-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 5302650
N-[3-[[(4,6-dimethylpyrimidin-2-yl)amino]-(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]benzamide
CID 46740904
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
CID 66810040
N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-(4-methoxyphenyl)methyl]-5-ethylthiophen-2-yl]benzamide
CID 93064875

Frequently Asked Questions

What is the IUPAC name of N-[2-[(S)-hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-[(S)-hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-methoxybenzamide (CID 25285763) is N-[2-[(S)-hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[(S)-hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[(S)-hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-methoxybenzamide is COCc1cc(C)nc2sc([C@@H](O)c3ccccc3)c(NC(=O)c3ccc(OC)cc3)c12.
What is the InChIKey of N-[2-[(S)-hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-methoxybenzamide?
The InChIKey is MBRZQZFQJFNCMU-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-15-13-18(14-30-2)20-21(27-24(29)17-9-11-19(31-3)12-10-17)23(32-25(20)26-15)22(28)16-7-5-4-6-8-16/h4-13,22,28H,14H2,1-3H3,(H,27,29)/t22-/m0/s1.
What are the key properties of N-[2-[(S)-hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-methoxybenzamide?
N-[2-[(S)-hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-methoxybenzamide has a molecular weight of 448.54 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(S)-hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 25285763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).