3-methyl-N-[[3-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

C23H24N2O3S — CID 45222109

IUPAC3-methyl-N-[[3-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(Cc1ccncc1)Cc1cccc(OC2CCOC2)c1
InChIInChI=1S/C23H24N2O3S/c1-17-8-12-29-22(17)23(26)25(14-18-5-9-24-10-6-18)15-19-3-2-4-20(13-19)28-21-7-11-27-16-21/h2-6,8-10,12-13,21H,7,11,14-16H2,1H3
InChIKeyBTNLAVOUWQQRQZ-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.46
Rot. Bonds7

About 3-methyl-N-[[3-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

3-methyl-N-[[3-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 45222109) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 3-methyl-N-[[3-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[3-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID45222109
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name3-methyl-N-[[3-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(Cc1ccncc1)Cc1cccc(OC2CCOC2)c1
InChIInChI=1S/C23H24N2O3S/c1-17-8-12-29-22(17)23(26)25(14-18-5-9-24-10-6-18)15-19-3-2-4-20(13-19)28-21-7-11-27-16-21/h2-6,8-10,12-13,21H,7,11,14-16H2,1H3
InChIKeyBTNLAVOUWQQRQZ-UHFFFAOYSA-N
XLogP4.46
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[[3-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-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

3-methyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 42433213
2,5-dimethyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 42382288
3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 42274795
3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86977437
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 45234882
3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol
CID 117318293
3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115004698
N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide
CID 131946745
N-[[3-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63556352
4-[3-(oxan-3-yloxy)phenyl]butanoic acid
CID 117415298
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 42481284
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzamide
CID 42277852

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[3-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[[3-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (CID 45222109) is 3-methyl-N-[[3-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[3-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[3-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is Cc1ccsc1C(=O)N(Cc1ccncc1)Cc1cccc(OC2CCOC2)c1.
What is the InChIKey of 3-methyl-N-[[3-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is BTNLAVOUWQQRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-17-8-12-29-22(17)23(26)25(14-18-5-9-24-10-6-18)15-19-3-2-4-20(13-19)28-21-7-11-27-16-21/h2-6,8-10,12-13,21H,7,11,14-16H2,1H3.
What are the key properties of 3-methyl-N-[[3-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
3-methyl-N-[[3-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[3-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 45222109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).