N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C17H19N3O3S — CID 8918655

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCc1nnc(NC(=O)c2oc3ccc(OC)cc3c2C)s1
InChIInChI=1S/C17H19N3O3S/c1-4-5-6-14-19-20-17(24-14)18-16(21)15-10(2)12-9-11(22-3)7-8-13(12)23-15/h7-9H,4-6H2,1-3H3,(H,18,20,21)
InChIKeyMEHXGEQGHJMVPF-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.20
Rot. Bonds6

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 8918655) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID8918655
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCc1nnc(NC(=O)c2oc3ccc(OC)cc3c2C)s1
InChIInChI=1S/C17H19N3O3S/c1-4-5-6-14-19-20-17(24-14)18-16(21)15-10(2)12-9-11(22-3)7-8-13(12)23-15/h7-9H,4-6H2,1-3H3,(H,18,20,21)
InChIKeyMEHXGEQGHJMVPF-UHFFFAOYSA-N
XLogP4.20
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 672445
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 684730
N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 733781
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 1250258
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 2085072
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 6492571
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 7920318
3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 16347361
3-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 1245476
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 645554
N-{5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-furamide
CID 659613
3,5-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 830424

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 8918655) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is CCCCc1nnc(NC(=O)c2oc3ccc(OC)cc3c2C)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is MEHXGEQGHJMVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-4-5-6-14-19-20-17(24-14)18-16(21)15-10(2)12-9-11(22-3)7-8-13(12)23-15/h7-9H,4-6H2,1-3H3,(H,18,20,21).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8918655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).