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

C20H22N4O3S2 — CID 22584978

IUPACN-(2,5-dimethylphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
SMILESCOc1cnc(CSc2nnc(C)s2)cc1OCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C20H22N4O3S2/c1-12-5-6-13(2)16(7-12)22-19(25)10-27-17-8-15(21-9-18(17)26-4)11-28-20-24-23-14(3)29-20/h5-9H,10-11H2,1-4H3,(H,22,25)
InChIKeyLISIBDCLGAEWGF-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.18
Rot. Bonds8

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

N-(2,5-dimethylphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide (PubChem CID 22584978) has the molecular formula C20H22N4O3S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
PubChem CID22584978
Molecular FormulaC20H22N4O3S2
Molecular Weight430.56 g/mol
Exact Mass430.11
IUPAC NameN-(2,5-dimethylphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
SMILESCOc1cnc(CSc2nnc(C)s2)cc1OCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C20H22N4O3S2/c1-12-5-6-13(2)16(7-12)22-19(25)10-27-17-8-15(21-9-18(17)26-4)11-28-20-24-23-14(3)29-20/h5-9H,10-11H2,1-4H3,(H,22,25)
InChIKeyLISIBDCLGAEWGF-UHFFFAOYSA-N
XLogP4.18
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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
2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(4-methoxyphenyl)acetamide
CID 22584972
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-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 845504
2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)acetamide
CID 22585062
2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 22585081
N-(2,4-difluorophenyl)-2-[[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]acetamide
CID 22585127
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 807483
N-[2-methoxy-4-[[3-methoxy-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4673802
2-[[5-methoxy-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22585093

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide (CID 22584978) is N-(2,5-dimethylphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide is COc1cnc(CSc2nnc(C)s2)cc1OCC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?
The InChIKey is LISIBDCLGAEWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S2/c1-12-5-6-13(2)16(7-12)22-19(25)10-27-17-8-15(21-9-18(17)26-4)11-28-20-24-23-14(3)29-20/h5-9H,10-11H2,1-4H3,(H,22,25).
What are the key properties of N-(2,5-dimethylphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?
N-(2,5-dimethylphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide has a molecular weight of 430.56 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide is sourced from PubChem (CID 22584978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).