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

C17H15N3O4S2 — CID 17319604

IUPACN-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(CS(=O)(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C17H15N3O4S2/c1-24-13-9-7-12(8-10-13)16(21)18-17-20-19-15(25-17)11-26(22,23)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,20,21)
InChIKeyYWVVKKWNERJVFG-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.77
Rot. Bonds6

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

N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide (PubChem CID 17319604) has the molecular formula C17H15N3O4S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
PubChem CID17319604
Molecular FormulaC17H15N3O4S2
Molecular Weight389.46 g/mol
Exact Mass389.05
IUPAC NameN-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(CS(=O)(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C17H15N3O4S2/c1-24-13-9-7-12(8-10-13)16(21)18-17-20-19-15(25-17)11-26(22,23)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,20,21)
InChIKeyYWVVKKWNERJVFG-UHFFFAOYSA-N
XLogP2.77
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119648
4-methoxy-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3732616
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 22518170
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 17320832
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119566
4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17193090
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 17321419
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
N-[5-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 5440690
4-methoxy-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 10570178
3-benzamido-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide;hydrochloride
CID 163329002

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide (CID 17319604) is N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nnc(CS(=O)(=O)c3ccccc3)s2)cc1.
What is the InChIKey of N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide?
The InChIKey is YWVVKKWNERJVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S2/c1-24-13-9-7-12(8-10-13)16(21)18-17-20-19-15(25-17)11-26(22,23)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,20,21).
What are the key properties of N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide?
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide has a molecular weight of 389.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 17319604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).