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

C14H18N4O3S2 — CID 17226764

IUPAC3-(butylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(C)s2)c1
InChIInChI=1S/C14H18N4O3S2/c1-3-4-8-15-23(20,21)12-7-5-6-11(9-12)13(19)16-14-18-17-10(2)22-14/h5-7,9,15H,3-4,8H2,1-2H3,(H,16,18,19)
InChIKeyBOHXWDYUINESDM-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.18
Rot. Bonds7

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

3-(butylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 17226764) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-(butylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(butylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID17226764
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC Name3-(butylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(C)s2)c1
InChIInChI=1S/C14H18N4O3S2/c1-3-4-8-15-23(20,21)12-7-5-6-11(9-12)13(19)16-14-18-17-10(2)22-14/h5-7,9,15H,3-4,8H2,1-2H3,(H,16,18,19)
InChIKeyBOHXWDYUINESDM-UHFFFAOYSA-N
XLogP2.18
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.18
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-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17226832
3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17226821
N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide
CID 17484062
3-(butylsulfamoyl)-N-(2,5-dimethylphenyl)benzamide
CID 17226677
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
CID 26197121
N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide
CID 17226776
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 29410773
N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide
CID 17226854
N-cyclopropyl-3-(pentylsulfamoyl)benzamide
CID 109062314
N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061918
N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065382
N-butyl-3-(2-methylpropanoyl)benzenesulfonamide
CID 39383401

Frequently Asked Questions

What is the IUPAC name of 3-(butylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-(butylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 17226764) is 3-(butylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-(butylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-(butylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is CCCCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(C)s2)c1.
What is the InChIKey of 3-(butylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is BOHXWDYUINESDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-3-4-8-15-23(20,21)12-7-5-6-11(9-12)13(19)16-14-18-17-10(2)22-14/h5-7,9,15H,3-4,8H2,1-2H3,(H,16,18,19).
What are the key properties of 3-(butylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
3-(butylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 354.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 17226764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).