N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide

C12H11F3N4O4S2 — CID 71899531

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
SMILESCc1nnc(NC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C12H11F3N4O4S2/c1-7-18-19-11(24-7)17-10(20)6-16-25(21,22)9-4-2-8(3-5-9)23-12(13,14)15/h2-5,16H,6H2,1H3,(H,17,19,20)
InChIKeyUAXPJEBHRUYSTJ-UHFFFAOYSA-N
MW396.37 g/mol
LogP1.66
Rot. Bonds6

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide (PubChem CID 71899531) has the molecular formula C12H11F3N4O4S2 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
PubChem CID71899531
Molecular FormulaC12H11F3N4O4S2
Molecular Weight396.37 g/mol
Exact Mass396.02
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
SMILESCc1nnc(NC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C12H11F3N4O4S2/c1-7-18-19-11(24-7)17-10(20)6-16-25(21,22)9-4-2-8(3-5-9)23-12(13,14)15/h2-5,16H,6H2,1H3,(H,17,19,20)
InChIKeyUAXPJEBHRUYSTJ-UHFFFAOYSA-N
XLogP1.66
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-(5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene)-1-[(4-methoxyphenyl)sulfonyl]prolinamide
CID 3874953
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744632
2-[(4-methoxyphenyl)sulfonyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1484125
N-(5-{2-[(4-methoxyphenyl)sulfonyl]ethyl}-1,3,4-thiadiazol-2-yl)acetamide
CID 3135542
4-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 4616513
N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}-4-oxobutanamide
CID 4872315
3-[(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 4801987
2-[(4-methoxyphenyl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1484116
4-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 1623710
3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 17192710
3-[(4-ethoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 36476751
3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 36477586

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide (CID 71899531) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide is Cc1nnc(NC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
The InChIKey is UAXPJEBHRUYSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O4S2/c1-7-18-19-11(24-7)17-10(20)6-16-25(21,22)9-4-2-8(3-5-9)23-12(13,14)15/h2-5,16H,6H2,1H3,(H,17,19,20).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide has a molecular weight of 396.37 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 71899531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).