4-(1-methoxyethyl)-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)methyl]phenyl]benzamide

C26H25N3O2S — CID 90752732

IUPAC4-(1-methoxyethyl)-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)methyl]phenyl]benzamide
SMILESCOC(C)c1ccc(C(=O)Nc2ccc(C)c(C(c3cccnc3)c3nccs3)c2)cc1
InChIInChI=1S/C26H25N3O2S/c1-17-6-11-22(29-25(30)20-9-7-19(8-10-20)18(2)31-3)15-23(17)24(26-28-13-14-32-26)21-5-4-12-27-16-21/h4-16,18,24H,1-3H3,(H,29,30)
InChIKeyPOWAOPYIBZXSHE-UHFFFAOYSA-N
MW443.57 g/mol
LogP5.99
Rot. Bonds7

About 4-(1-methoxyethyl)-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)methyl]phenyl]benzamide

4-(1-methoxyethyl)-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)methyl]phenyl]benzamide (PubChem CID 90752732) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is 4-(1-methoxyethyl)-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(1-methoxyethyl)-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)methyl]phenyl]benzamide
PubChem CID90752732
Molecular FormulaC26H25N3O2S
Molecular Weight443.57 g/mol
Exact Mass443.17
IUPAC Name4-(1-methoxyethyl)-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)methyl]phenyl]benzamide
SMILESCOC(C)c1ccc(C(=O)Nc2ccc(C)c(C(c3cccnc3)c3nccs3)c2)cc1
InChIInChI=1S/C26H25N3O2S/c1-17-6-11-22(29-25(30)20-9-7-19(8-10-20)18(2)31-3)15-23(17)24(26-28-13-14-32-26)21-5-4-12-27-16-21/h4-16,18,24H,1-3H3,(H,29,30)
InChIKeyPOWAOPYIBZXSHE-UHFFFAOYSA-N
XLogP5.99
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.57
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methoxyethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide
CID 57473574
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096
4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
CID 91345403
5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68847824
N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500223
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500269
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
N-[3-[(1R)-1-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]ethyl]phenyl]-3,4-dimethylbenzamide
CID 139489246
N-(3-benzamido-4-methylphenyl)pyridine-3-carboxamide
CID 6486649
3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321514
[4-[[4-methyl-3-[4-pyridin-3-yl-N-(1,3-thiazol-2-yl)anilino]phenyl]carbamoyl]phenyl] thiophene-2-sulfonate
CID 87813326
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide
CID 92500266

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethyl)-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)methyl]phenyl]benzamide?
The IUPAC name of 4-(1-methoxyethyl)-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)methyl]phenyl]benzamide (CID 90752732) is 4-(1-methoxyethyl)-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-(1-methoxyethyl)-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-(1-methoxyethyl)-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)methyl]phenyl]benzamide is COC(C)c1ccc(C(=O)Nc2ccc(C)c(C(c3cccnc3)c3nccs3)c2)cc1.
What is the InChIKey of 4-(1-methoxyethyl)-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)methyl]phenyl]benzamide?
The InChIKey is POWAOPYIBZXSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S/c1-17-6-11-22(29-25(30)20-9-7-19(8-10-20)18(2)31-3)15-23(17)24(26-28-13-14-32-26)21-5-4-12-27-16-21/h4-16,18,24H,1-3H3,(H,29,30).
What are the key properties of 4-(1-methoxyethyl)-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)methyl]phenyl]benzamide?
4-(1-methoxyethyl)-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)methyl]phenyl]benzamide has a molecular weight of 443.57 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethyl)-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 90752732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).