N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide

C14H17N3O3S2 — CID 17321419

IUPACN-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nnc(CS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C14H17N3O3S2/c1-2-3-9-12(18)15-14-17-16-13(21-14)10-22(19,20)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,15,17,18)
InChIKeyJUXXWLOCXPMCNO-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.64
Rot. Bonds7

About N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide

N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide (PubChem CID 17321419) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide
PubChem CID17321419
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC NameN-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nnc(CS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C14H17N3O3S2/c1-2-3-9-12(18)15-14-17-16-13(21-14)10-22(19,20)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,15,17,18)
InChIKeyJUXXWLOCXPMCNO-UHFFFAOYSA-N
XLogP2.64
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17225962
(E)-N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 17320573
N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3112369
3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2230030
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 17320832
3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid
CID 82058147
3-(benzenesulfonyl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 17310154
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 17319604
2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17257226
N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 22518007
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119648

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide (CID 17321419) is N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide.
What is the SMILES notation for N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The canonical SMILES for N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide is CCCCC(=O)Nc1nnc(CS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The InChIKey is JUXXWLOCXPMCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-2-3-9-12(18)15-14-17-16-13(21-14)10-22(19,20)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,15,17,18).
What are the key properties of N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide has a molecular weight of 339.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide is sourced from PubChem (CID 17321419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).