4-methoxy-N-[1-[[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]pentan-3-yl]benzamide

C23H28N4O3S — CID 90971103

IUPAC4-methoxy-N-[1-[[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]pentan-3-yl]benzamide
SMILESCCC(CCNc1nc(Cc2ccccc2OC)ns1)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H28N4O3S/c1-4-18(25-22(28)16-9-11-19(29-2)12-10-16)13-14-24-23-26-21(27-31-23)15-17-7-5-6-8-20(17)30-3/h5-12,18H,4,13-15H2,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyCTCWIKLJKFTYTD-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.16
Rot. Bonds11

About 4-methoxy-N-[1-[[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]pentan-3-yl]benzamide

4-methoxy-N-[1-[[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]pentan-3-yl]benzamide (PubChem CID 90971103) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 4-methoxy-N-[1-[[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]pentan-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]pentan-3-yl]benzamide
PubChem CID90971103
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name4-methoxy-N-[1-[[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]pentan-3-yl]benzamide
SMILESCCC(CCNc1nc(Cc2ccccc2OC)ns1)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H28N4O3S/c1-4-18(25-22(28)16-9-11-19(29-2)12-10-16)13-14-24-23-26-21(27-31-23)15-17-7-5-6-8-20(17)30-3/h5-12,18H,4,13-15H2,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyCTCWIKLJKFTYTD-UHFFFAOYSA-N
XLogP4.16
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[4-[[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]butan-2-yl]benzamide
CID 90724902
4-methoxy-N-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]butan-2-yl]benzamide
CID 90685898
4-methoxy-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
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CID 4799536
N-(1-chlorobutan-2-yl)-4-methoxybenzamide
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CID 65268124
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CID 40636202
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
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CID 79672456
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 3944138
N-butan-2-yl-4-[2-(2-methoxyphenyl)ethylsulfamoyl]benzamide
CID 109059025

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]pentan-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-[[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]pentan-3-yl]benzamide (CID 90971103) is 4-methoxy-N-[1-[[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]pentan-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-[[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]pentan-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-[[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]pentan-3-yl]benzamide is CCC(CCNc1nc(Cc2ccccc2OC)ns1)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[1-[[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]pentan-3-yl]benzamide?
The InChIKey is CTCWIKLJKFTYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-4-18(25-22(28)16-9-11-19(29-2)12-10-16)13-14-24-23-26-21(27-31-23)15-17-7-5-6-8-20(17)30-3/h5-12,18H,4,13-15H2,1-3H3,(H,25,28)(H,24,26,27).
What are the key properties of 4-methoxy-N-[1-[[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]pentan-3-yl]benzamide?
4-methoxy-N-[1-[[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]pentan-3-yl]benzamide has a molecular weight of 440.57 g/mol, XLogP of 4.16, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]pentan-3-yl]benzamide is sourced from PubChem (CID 90971103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).