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

C25H24N2O4S — CID 5304203

IUPACN-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-methoxybenzamide
SMILESCOCc1cc(C)nc2sc(C(O)c3ccccc3)c(NC(=O)c3ccccc3OC)c12
InChIInChI=1S/C25H24N2O4S/c1-15-13-17(14-30-2)20-21(27-24(29)18-11-7-8-12-19(18)31-3)23(32-25(20)26-15)22(28)16-9-5-4-6-10-16/h4-13,22,28H,14H2,1-3H3,(H,27,29)
InChIKeyIQOWXNBKRAKUOC-UHFFFAOYSA-N
MW448.54 g/mol
LogP5.09
Rot. Bonds7

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

N-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-methoxybenzamide (PubChem CID 5304203) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-methoxybenzamide
PubChem CID5304203
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC NameN-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-methoxybenzamide
SMILESCOCc1cc(C)nc2sc(C(O)c3ccccc3)c(NC(=O)c3ccccc3OC)c12
InChIInChI=1S/C25H24N2O4S/c1-15-13-17(14-30-2)20-21(27-24(29)18-11-7-8-12-19(18)31-3)23(32-25(20)26-15)22(28)16-9-5-4-6-10-16/h4-13,22,28H,14H2,1-3H3,(H,27,29)
InChIKeyIQOWXNBKRAKUOC-UHFFFAOYSA-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-[(S)-hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-methoxybenzamide
CID 25285763
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
3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 1093411
3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 6324291
N-[(Z)-cyclohexylmethylideneamino]-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 6324290
N-(2-benzoyl-4,6-diphenylthieno[2,3-b]pyridin-3-yl)-2-methoxybenzamide
CID 3436300
2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1389058
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 803477
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 95557632
ethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
CID 46094953
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717

Frequently Asked Questions

What is the IUPAC name of N-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-methoxybenzamide (CID 5304203) is N-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-methoxybenzamide is COCc1cc(C)nc2sc(C(O)c3ccccc3)c(NC(=O)c3ccccc3OC)c12.
What is the InChIKey of N-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-methoxybenzamide?
The InChIKey is IQOWXNBKRAKUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-15-13-17(14-30-2)20-21(27-24(29)18-11-7-8-12-19(18)31-3)23(32-25(20)26-15)22(28)16-9-5-4-6-10-16/h4-13,22,28H,14H2,1-3H3,(H,27,29).
What are the key properties of N-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-methoxybenzamide?
N-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-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-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 5304203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).