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

C18H21N3O2S — CID 26209694

IUPAC2-(6-methyl-1-benzofuran-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCc1nnc(NC(=O)Cc2coc3cc(C)ccc23)s1
InChIInChI=1S/C18H21N3O2S/c1-3-4-5-6-17-20-21-18(24-17)19-16(22)10-13-11-23-15-9-12(2)7-8-14(13)15/h7-9,11H,3-6,10H2,1-2H3,(H,19,21,22)
InChIKeySBDQWCJYFCPKKE-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.51
Rot. Bonds7

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

2-(6-methyl-1-benzofuran-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 26209694) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID26209694
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCc1nnc(NC(=O)Cc2coc3cc(C)ccc23)s1
InChIInChI=1S/C18H21N3O2S/c1-3-4-5-6-17-20-21-18(24-17)19-16(22)10-13-11-23-15-9-12(2)7-8-14(13)15/h7-9,11H,3-6,10H2,1-2H3,(H,19,21,22)
InChIKeySBDQWCJYFCPKKE-UHFFFAOYSA-N
XLogP4.51
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 8918673
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 18861674
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 18198073
2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18861274
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16548036
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
2-(6-methyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 6460690
2-(5-ethyl-1-benzofuran-3-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18861193
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 108803255
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2208286
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide (CID 26209694) is 2-(6-methyl-1-benzofuran-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCCc1nnc(NC(=O)Cc2coc3cc(C)ccc23)s1.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is SBDQWCJYFCPKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-3-4-5-6-17-20-21-18(24-17)19-16(22)10-13-11-23-15-9-12(2)7-8-14(13)15/h7-9,11H,3-6,10H2,1-2H3,(H,19,21,22).
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(6-methyl-1-benzofuran-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 26209694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).