2-benzylsulfanyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide

C19H19N3O2S2 — CID 2256349

IUPAC2-benzylsulfanyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOc1ccc(-c2nnc(NC(=O)CSCc3ccccc3)s2)cc1
InChIInChI=1S/C19H19N3O2S2/c1-2-24-16-10-8-15(9-11-16)18-21-22-19(26-18)20-17(23)13-25-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,22,23)
InChIKeyGSWRUAHYYLMPCR-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.48
Rot. Bonds8

About 2-benzylsulfanyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide

2-benzylsulfanyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 2256349) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID2256349
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name2-benzylsulfanyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOc1ccc(-c2nnc(NC(=O)CSCc3ccccc3)s2)cc1
InChIInChI=1S/C19H19N3O2S2/c1-2-24-16-10-8-15(9-11-16)18-21-22-19(26-18)20-17(23)13-25-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,22,23)
InChIKeyGSWRUAHYYLMPCR-UHFFFAOYSA-N
XLogP4.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzylsulfanyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100556333
2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991376
N-(4-ethoxyphenyl)-2-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide
CID 28527065
2-benzylsulfanyl-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 40827786
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991360
benzyl 2-[[5-[(2-benzylsulfanylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 5085039
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide
CID 7943879
ethyl 2-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
CID 7163724
4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 33004637
2-benzylsulfanyl-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 4119585
N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-phenylbenzamide
CID 18553037
2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1398449

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 2256349) is 2-benzylsulfanyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is CCOc1ccc(-c2nnc(NC(=O)CSCc3ccccc3)s2)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is GSWRUAHYYLMPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-2-24-16-10-8-15(9-11-16)18-21-22-19(26-18)20-17(23)13-25-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,22,23).
What are the key properties of 2-benzylsulfanyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-benzylsulfanyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 385.51 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 2256349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).