N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide

C19H18N2O3S — CID 47042626

IUPACN-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide
SMILESCOc1cc(CNC(=O)c2ccsc2)ccc1OCc1ccncc1
InChIInChI=1S/C19H18N2O3S/c1-23-18-10-15(11-21-19(22)16-6-9-25-13-16)2-3-17(18)24-12-14-4-7-20-8-5-14/h2-10,13H,11-12H2,1H3,(H,21,22)
InChIKeyFIFOHUBYNWFWGP-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.66
Rot. Bonds7

About N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide

N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide (PubChem CID 47042626) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide
PubChem CID47042626
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide
SMILESCOc1cc(CNC(=O)c2ccsc2)ccc1OCc1ccncc1
InChIInChI=1S/C19H18N2O3S/c1-23-18-10-15(11-21-19(22)16-6-9-25-13-16)2-3-17(18)24-12-14-4-7-20-8-5-14/h2-10,13H,11-12H2,1H3,(H,21,22)
InChIKeyFIFOHUBYNWFWGP-UHFFFAOYSA-N
XLogP3.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55912136
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-4-(methoxysulfamoyl)benzamide
CID 55843428
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
CID 31816152
N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55843532
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259114
4-butoxy-N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55843425
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide
CID 55964647
2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55844320
2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide
CID 47042624
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
CID 47057863

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide (CID 47042626) is N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide is COc1cc(CNC(=O)c2ccsc2)ccc1OCc1ccncc1.
What is the InChIKey of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide?
The InChIKey is FIFOHUBYNWFWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-23-18-10-15(11-21-19(22)16-6-9-25-13-16)2-3-17(18)24-12-14-4-7-20-8-5-14/h2-10,13H,11-12H2,1H3,(H,21,22).
What are the key properties of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide?
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 47042626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).