N-(4-acetamidophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide

C20H21N5O4S2 — CID 46362577

IUPACN-(4-acetamidophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
SMILESCOc1cnc(CSc2nnc(C)s2)cc1OCC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H21N5O4S2/c1-12(26)22-14-4-6-15(7-5-14)23-19(27)10-29-17-8-16(21-9-18(17)28-3)11-30-20-25-24-13(2)31-20/h4-9H,10-11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyOJNQWLKICSHUTD-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.52
Rot. Bonds9

About N-(4-acetamidophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide

N-(4-acetamidophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide (PubChem CID 46362577) has the molecular formula C20H21N5O4S2 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
PubChem CID46362577
Molecular FormulaC20H21N5O4S2
Molecular Weight459.55 g/mol
Exact Mass459.10
IUPAC NameN-(4-acetamidophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
SMILESCOc1cnc(CSc2nnc(C)s2)cc1OCC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H21N5O4S2/c1-12(26)22-14-4-6-15(7-5-14)23-19(27)10-29-17-8-16(21-9-18(17)28-3)11-30-20-25-24-13(2)31-20/h4-9H,10-11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyOJNQWLKICSHUTD-UHFFFAOYSA-N
XLogP3.52
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(4-methoxyphenyl)acetamide
CID 22584972
N-(3,4-dimethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 22585004
N-(4-ethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 22584977
N-(3-fluorophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 22584991
N-(2,5-dimethylphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 22584978
2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)acetamide
CID 22585062
N-(3-fluorophenyl)-2-[[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]acetamide
CID 22585220
2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 22585081
2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 18587626
N-(2,4-difluorophenyl)-2-[[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]acetamide
CID 22585127
2-[[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 22584956
N-(4-methoxyphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide
CID 1269728

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide (CID 46362577) is N-(4-acetamidophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide is COc1cnc(CSc2nnc(C)s2)cc1OCC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?
The InChIKey is OJNQWLKICSHUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S2/c1-12(26)22-14-4-6-15(7-5-14)23-19(27)10-29-17-8-16(21-9-18(17)28-3)11-30-20-25-24-13(2)31-20/h4-9H,10-11H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N-(4-acetamidophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?
N-(4-acetamidophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide has a molecular weight of 459.55 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide is sourced from PubChem (CID 46362577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).