2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide

C18H17N3O2S3 — CID 7820643

IUPAC2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCSc1nnc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)s1
InChIInChI=1S/C18H17N3O2S3/c1-24-17-20-21-18(26-17)25-12-16(22)19-14-7-9-15(10-8-14)23-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyJXGKLGLGCZMJSF-UHFFFAOYSA-N
MW403.55 g/mol
LogP4.57
Rot. Bonds8

About 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide

2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 7820643) has the molecular formula C18H17N3O2S3 and a molecular weight of 403.55 g/mol. Its IUPAC name is 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID7820643
Molecular FormulaC18H17N3O2S3
Molecular Weight403.55 g/mol
Exact Mass403.05
IUPAC Name2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCSc1nnc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)s1
InChIInChI=1S/C18H17N3O2S3/c1-24-17-20-21-18(26-17)25-12-16(22)19-14-7-9-15(10-8-14)23-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyJXGKLGLGCZMJSF-UHFFFAOYSA-N
XLogP4.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 5174769
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8674413
N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4799847
N-(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2668647
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 2343294
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)acetamide
CID 2708716
ethyl 4-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 2665598
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylphenyl)acetamide
CID 7692187
methyl 4-[[2-[[5-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 23854147
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
N-(2-chlorophenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7820649
N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-phenylbenzamide
CID 18553037

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide (CID 7820643) is 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide is CSc1nnc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)s1.
What is the InChIKey of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is JXGKLGLGCZMJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S3/c1-24-17-20-21-18(26-17)25-12-16(22)19-14-7-9-15(10-8-14)23-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide?
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 403.55 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 7820643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).