2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C19H23N3O2S — CID 18861274

IUPAC2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)Cc2coc3ccc(C(C)(C)C)cc23)s1
InChIInChI=1S/C19H23N3O2S/c1-5-6-17-21-22-18(25-17)20-16(23)9-12-11-24-15-8-7-13(10-14(12)15)19(2,3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,20,22,23)
InChIKeyFRQADSGJJCESQV-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.72
Rot. Bonds5

About 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 18861274) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID18861274
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)Cc2coc3ccc(C(C)(C)C)cc23)s1
InChIInChI=1S/C19H23N3O2S/c1-5-6-17-21-22-18(25-17)20-16(23)9-12-11-24-15-8-7-13(10-14(12)15)19(2,3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,20,22,23)
InChIKeyFRQADSGJJCESQV-UHFFFAOYSA-N
XLogP4.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-ethyl-1-benzofuran-3-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18861193
N-(1,3-benzothiazol-2-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide
CID 23833458
2-(6-methyl-1-benzofuran-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26209694
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 8918673
2-(5-chloro-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 18860954
2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18860950
2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 23889660
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 108803255
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16548036
2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34107644
2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]acetamide
CID 23833451
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 9109738

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 18861274) is 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)Cc2coc3ccc(C(C)(C)C)cc23)s1.
What is the InChIKey of 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is FRQADSGJJCESQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-5-6-17-21-22-18(25-17)20-16(23)9-12-11-24-15-8-7-13(10-14(12)15)19(2,3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,20,22,23).
What are the key properties of 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 357.48 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 18861274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).