2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

C18H18N4O4S2 — CID 100708318

IUPAC2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(c1ccc(OCC(=O)Nc2nnc(-c3ccccc3)s2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H18N4O4S2/c1-22(28(2,24)25)14-8-10-15(11-9-14)26-12-16(23)19-18-21-20-17(27-18)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,21,23)
InChIKeyQBAVUDBJNOOBRZ-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.62
Rot. Bonds7

About 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 100708318) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID100708318
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC Name2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(c1ccc(OCC(=O)Nc2nnc(-c3ccccc3)s2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H18N4O4S2/c1-22(28(2,24)25)14-8-10-15(11-9-14)26-12-16(23)19-18-21-20-17(27-18)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,21,23)
InChIKeyQBAVUDBJNOOBRZ-UHFFFAOYSA-N
XLogP2.62
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991376
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991360
2-(N-methylsulfonyl-4-propoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100576300
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 100542215
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide
CID 38107357
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813938
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813941
2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1398449
N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128438
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100559440
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide
CID 30128386
4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 33004637

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 100708318) is 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is CN(c1ccc(OCC(=O)Nc2nnc(-c3ccccc3)s2)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is QBAVUDBJNOOBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c1-22(28(2,24)25)14-8-10-15(11-9-14)26-12-16(23)19-18-21-20-17(27-18)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,21,23).
What are the key properties of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 418.50 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 100708318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).