N-(2-methoxy-5-methylphenyl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide

C14H16N4O3S2 — CID 31127067

IUPACN-(2-methoxy-5-methylphenyl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CSc1nncs1
InChIInChI=1S/C14H16N4O3S2/c1-9-3-4-11(21-2)10(5-9)17-12(19)6-15-13(20)7-22-14-18-16-8-23-14/h3-5,8H,6-7H2,1-2H3,(H,15,20)(H,17,19)
InChIKeyIEUIJYLOJMPEPU-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.70
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide

N-(2-methoxy-5-methylphenyl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide (PubChem CID 31127067) has the molecular formula C14H16N4O3S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
PubChem CID31127067
Molecular FormulaC14H16N4O3S2
Molecular Weight352.44 g/mol
Exact Mass352.07
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CSc1nncs1
InChIInChI=1S/C14H16N4O3S2/c1-9-3-4-11(21-2)10(5-9)17-12(19)6-15-13(20)7-22-14-18-16-8-23-14/h3-5,8H,6-7H2,1-2H3,(H,15,20)(H,17,19)
InChIKeyIEUIJYLOJMPEPU-UHFFFAOYSA-N
XLogP1.70
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
CID 27764862
N-(2-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532400
N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4783734
2-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16533838
N-(2-methoxy-5-methylphenyl)-2-[[2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide
CID 31126878
N-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2385810
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 2708523
2-[[2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 42334041
N-(3,5-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532387
2-[[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16604639
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 35395858

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide (CID 31127067) is N-(2-methoxy-5-methylphenyl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide is COc1ccc(C)cc1NC(=O)CNC(=O)CSc1nncs1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide?
The InChIKey is IEUIJYLOJMPEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S2/c1-9-3-4-11(21-2)10(5-9)17-12(19)6-15-13(20)7-22-14-18-16-8-23-14/h3-5,8H,6-7H2,1-2H3,(H,15,20)(H,17,19).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide has a molecular weight of 352.44 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide is sourced from PubChem (CID 31127067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).