N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C17H15N3O2S2 — CID 4799847

IUPACN-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H15N3O2S2/c21-16(11-23-17-20-18-12-24-17)19-14-6-8-15(9-7-14)22-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,19,21)
InChIKeyHNVCDQXHHSTLAH-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.85
Rot. Bonds7

About N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 4799847) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID4799847
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC NameN-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H15N3O2S2/c21-16(11-23-17-20-18-12-24-17)19-14-6-8-15(9-7-14)22-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,19,21)
InChIKeyHNVCDQXHHSTLAH-UHFFFAOYSA-N
XLogP3.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 7820643
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 2343294
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8674413
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)acetamide
CID 2708716
2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 5174769
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 35987370
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 7664571
N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide
CID 2532520
2-[(3-phenylmethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole
CID 60604161
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 55920830
N-[4-(1-adamantylmethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 166814742
2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 2608047

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 4799847) is N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is O=C(CSc1nncs1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is HNVCDQXHHSTLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S2/c21-16(11-23-17-20-18-12-24-17)19-14-6-8-15(9-7-14)22-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,19,21).
What are the key properties of N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 357.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 4799847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).