N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

C17H19N3O2S2 — CID 18861674

IUPACN-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCCCCSc1nnc(NC(=O)Cc2coc3cc(C)ccc23)s1
InChIInChI=1S/C17H19N3O2S2/c1-3-4-7-23-17-20-19-16(24-17)18-15(21)9-12-10-22-14-8-11(2)5-6-13(12)14/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,18,19,21)
InChIKeyDOWDLBNZGGVGBO-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.67
Rot. Bonds7

About N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 18861674) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID18861674
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC NameN-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCCCCSc1nnc(NC(=O)Cc2coc3cc(C)ccc23)s1
InChIInChI=1S/C17H19N3O2S2/c1-3-4-7-23-17-20-19-16(24-17)18-15(21)9-12-10-22-14-8-11(2)5-6-13(12)14/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,18,19,21)
InChIKeyDOWDLBNZGGVGBO-UHFFFAOYSA-N
XLogP4.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

2-(6-methyl-1-benzofuran-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26209694
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 112765141
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-chlorophenyl)acetamide
CID 19114647
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 8918673
2-(6-methyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 6460690
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
CID 19228550
2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2598479
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4910536
2-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]phenyl]acetamide
CID 31856404
2-(6-methyl-1-benzofuran-3-yl)-N-(1H-pyrazol-5-yl)acetamide
CID 61393726
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide
CID 19228480
N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 7944860

Frequently Asked Questions

What is the IUPAC name of N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 18861674) is N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is CCCCSc1nnc(NC(=O)Cc2coc3cc(C)ccc23)s1.
What is the InChIKey of N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is DOWDLBNZGGVGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c1-3-4-7-23-17-20-19-16(24-17)18-15(21)9-12-10-22-14-8-11(2)5-6-13(12)14/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,18,19,21).
What are the key properties of N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 361.49 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 18861674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).