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

C18H26N4O3S2 — CID 17226832

IUPAC3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCCc1nnc(NC(=O)c2cccc(S(=O)(=O)NCCCC)c2)s1
InChIInChI=1S/C18H26N4O3S2/c1-3-5-7-11-16-21-22-18(26-16)20-17(23)14-9-8-10-15(13-14)27(24,25)19-12-6-4-2/h8-10,13,19H,3-7,11-12H2,1-2H3,(H,20,22,23)
InChIKeyQHYXSMXRRJKRKA-UHFFFAOYSA-N
MW410.57 g/mol
LogP3.60
Rot. Bonds11

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

3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 17226832) has the molecular formula C18H26N4O3S2 and a molecular weight of 410.57 g/mol. Its IUPAC name is 3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID17226832
Molecular FormulaC18H26N4O3S2
Molecular Weight410.57 g/mol
Exact Mass410.14
IUPAC Name3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCCc1nnc(NC(=O)c2cccc(S(=O)(=O)NCCCC)c2)s1
InChIInChI=1S/C18H26N4O3S2/c1-3-5-7-11-16-21-22-18(26-16)20-17(23)14-9-8-10-15(13-14)27(24,25)19-12-6-4-2/h8-10,13,19H,3-7,11-12H2,1-2H3,(H,20,22,23)
InChIKeyQHYXSMXRRJKRKA-UHFFFAOYSA-N
XLogP3.60
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 53.60
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
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
CID 26197121
3-(diethylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8839583
3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17226821
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 5024814
3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 119679154
3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17225962
butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 169248406
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 29410773
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
3-(methylsulfinylmethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551033
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide
CID 108801746

Frequently Asked Questions

What is the IUPAC name of 3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide (CID 17226832) is 3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide is CCCCCc1nnc(NC(=O)c2cccc(S(=O)(=O)NCCCC)c2)s1.
What is the InChIKey of 3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is QHYXSMXRRJKRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S2/c1-3-5-7-11-16-21-22-18(26-16)20-17(23)14-9-8-10-15(13-14)27(24,25)19-12-6-4-2/h8-10,13,19H,3-7,11-12H2,1-2H3,(H,20,22,23).
What are the key properties of 3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 410.57 g/mol, XLogP of 3.60, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 17226832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).