4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide

C18H25N3O3S — CID 31038115

IUPAC4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2nnc(CCCC)s2)cc1OC
InChIInChI=1S/C18H25N3O3S/c1-4-6-8-16-20-21-18(25-16)19-17(22)13-9-10-14(15(12-13)23-3)24-11-7-5-2/h9-10,12H,4-8,11H2,1-3H3,(H,19,21,22)
InChIKeyARTNHRDRNIKOCI-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.32
Rot. Bonds10

About 4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide

4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide (PubChem CID 31038115) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
PubChem CID31038115
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2nnc(CCCC)s2)cc1OC
InChIInChI=1S/C18H25N3O3S/c1-4-6-8-16-20-21-18(25-16)19-17(22)13-9-10-14(15(12-13)23-3)24-11-7-5-2/h9-10,12H,4-8,11H2,1-3H3,(H,19,21,22)
InChIKeyARTNHRDRNIKOCI-UHFFFAOYSA-N
XLogP4.32
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55360863
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide
CID 55792414
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2666591
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1086871
2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 51176076
4-butoxy-N-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-3-ethoxybenzamide
CID 108766682
2,4,5-trimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8933648
N-(1,3-benzothiazol-2-yl)-4-butoxy-3-methoxybenzamide
CID 8882733

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide?
The IUPAC name of 4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide (CID 31038115) is 4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide.
What is the SMILES notation for 4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide?
The canonical SMILES for 4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide is CCCCOc1ccc(C(=O)Nc2nnc(CCCC)s2)cc1OC.
What is the InChIKey of 4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide?
The InChIKey is ARTNHRDRNIKOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-4-6-8-16-20-21-18(25-16)19-17(22)13-9-10-14(15(12-13)23-3)24-11-7-5-2/h9-10,12H,4-8,11H2,1-3H3,(H,19,21,22).
What are the key properties of 4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide?
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide has a molecular weight of 363.48 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 31038115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).