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

C20H22N4O4S2 — CID 22584977

IUPACN-(4-ethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
SMILESCCOc1ccc(NC(=O)COc2cc(CSc3nnc(C)s3)ncc2OC)cc1
InChIInChI=1S/C20H22N4O4S2/c1-4-27-16-7-5-14(6-8-16)22-19(25)11-28-17-9-15(21-10-18(17)26-3)12-29-20-24-23-13(2)30-20/h5-10H,4,11-12H2,1-3H3,(H,22,25)
InChIKeyOMAULHLLXPQYEQ-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.96
Rot. Bonds10

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

N-(4-ethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide (PubChem CID 22584977) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
PubChem CID22584977
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC NameN-(4-ethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
SMILESCCOc1ccc(NC(=O)COc2cc(CSc3nnc(C)s3)ncc2OC)cc1
InChIInChI=1S/C20H22N4O4S2/c1-4-27-16-7-5-14(6-8-16)22-19(25)11-28-17-9-15(21-10-18(17)26-3)12-29-20-24-23-13(2)30-20/h5-10H,4,11-12H2,1-3H3,(H,22,25)
InChIKeyOMAULHLLXPQYEQ-UHFFFAOYSA-N
XLogP3.96
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.96
H-Bond Donors ≤ 51
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-(4-acetamidophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 46362577
N-(3,4-dimethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 22585004
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-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 23769335
2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide
CID 22585199
2-(2,4-dichlorophenoxy)-N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 23908479
N-(3-fluorophenyl)-2-[[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]acetamide
CID 22585220
N-(4-methoxyphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide
CID 1269728
4-ethoxy-N-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 3643793

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide (CID 22584977) is N-(4-ethoxyphenyl)-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-ethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide is CCOc1ccc(NC(=O)COc2cc(CSc3nnc(C)s3)ncc2OC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?
The InChIKey is OMAULHLLXPQYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-4-27-16-7-5-14(6-8-16)22-19(25)11-28-17-9-15(21-10-18(17)26-3)12-29-20-24-23-13(2)30-20/h5-10H,4,11-12H2,1-3H3,(H,22,25).
What are the key properties of N-(4-ethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?
N-(4-ethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide has a molecular weight of 446.55 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide is sourced from PubChem (CID 22584977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).