3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide

C18H26N4O3S2 — CID 17226821

IUPAC3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(C(CC)CC)s2)c1
InChIInChI=1S/C18H26N4O3S2/c1-4-7-11-19-27(24,25)15-10-8-9-14(12-15)16(23)20-18-22-21-17(26-18)13(5-2)6-3/h8-10,12-13,19H,4-7,11H2,1-3H3,(H,20,22,23)
InChIKeyYUEWNRYKJVUHSG-UHFFFAOYSA-N
MW410.57 g/mol
LogP3.77
Rot. Bonds10

About 3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide

3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 17226821) has the molecular formula C18H26N4O3S2 and a molecular weight of 410.57 g/mol. Its IUPAC name is 3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID17226821
Molecular FormulaC18H26N4O3S2
Molecular Weight410.57 g/mol
Exact Mass410.14
IUPAC Name3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(C(CC)CC)s2)c1
InChIInChI=1S/C18H26N4O3S2/c1-4-7-11-19-27(24,25)15-10-8-9-14(12-15)16(23)20-18-22-21-17(26-18)13(5-2)6-3/h8-10,12-13,19H,4-7,11H2,1-3H3,(H,20,22,23)
InChIKeyYUEWNRYKJVUHSG-UHFFFAOYSA-N
XLogP3.77
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(butylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17226764
3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17226832
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 35865489
N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide
CID 17484062
3,4-dichloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 735079
N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide
CID 17226776
3-(butylsulfamoyl)-N-(2,5-dimethylphenyl)benzamide
CID 17226677
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
CID 26197121
3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32624601
N-butyl-3-(2-methylpropanoyl)benzenesulfonamide
CID 39383401
3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide
CID 17226785
3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 18194623

Frequently Asked Questions

What is the IUPAC name of 3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 17226821) is 3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide is CCCCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(C(CC)CC)s2)c1.
What is the InChIKey of 3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is YUEWNRYKJVUHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S2/c1-4-7-11-19-27(24,25)15-10-8-9-14(12-15)16(23)20-18-22-21-17(26-18)13(5-2)6-3/h8-10,12-13,19H,4-7,11H2,1-3H3,(H,20,22,23).
What are the key properties of 3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 410.57 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 17226821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).