2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

C24H21FN4O2S2 — CID 3626493

IUPAC2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)C(Sc1nnc(Nc2ccccc2F)s1)c1ccccc1
InChIInChI=1S/C24H21FN4O2S2/c1-15-12-13-20(31-2)19(14-15)26-22(30)21(16-8-4-3-5-9-16)32-24-29-28-23(33-24)27-18-11-7-6-10-17(18)25/h3-14,21H,1-2H3,(H,26,30)(H,27,28)
InChIKeyYFFGFAGEDJUMAX-UHFFFAOYSA-N
MW480.59 g/mol
LogP6.21
Rot. Bonds8

About 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide (PubChem CID 3626493) has the molecular formula C24H21FN4O2S2 and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
PubChem CID3626493
Molecular FormulaC24H21FN4O2S2
Molecular Weight480.59 g/mol
Exact Mass480.11
IUPAC Name2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)C(Sc1nnc(Nc2ccccc2F)s1)c1ccccc1
InChIInChI=1S/C24H21FN4O2S2/c1-15-12-13-20(31-2)19(14-15)26-22(30)21(16-8-4-3-5-9-16)32-24-29-28-23(33-24)27-18-11-7-6-10-17(18)25/h3-14,21H,1-2H3,(H,26,30)(H,27,28)
InChIKeyYFFGFAGEDJUMAX-UHFFFAOYSA-N
XLogP6.21
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide with MolForge

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Related Compounds

N-(2,5-dimethylphenyl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 4172178
N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 4878916
N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-N'-(2-methoxy-5-methylphenyl)butanediamide
CID 1400999
6-[2-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
CID 2457293
2-[[5-(2-methoxy-5-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 3562291
N-(3-methoxyphenyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 3937862
N-(2-Methoxyphenyl)-2-[(5-{[(4-methylphenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-YL)sulfanyl]acetamide
CID 16032658
6-[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
CID 2479582
1-[4-(Difluoromethoxy)phenyl]-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 2339897
N-(2-fluorophenyl)-2-((5-(2-(4-methoxyphenyl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide
CID 3536946
N-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide
CID 29345671
2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(2-meo-5-methylphenyl)acetamide
CID 1417181

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The IUPAC name of 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide (CID 3626493) is 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The canonical SMILES for 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide is COc1ccc(C)cc1NC(=O)C(Sc1nnc(Nc2ccccc2F)s1)c1ccccc1.
What is the InChIKey of 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The InChIKey is YFFGFAGEDJUMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2S2/c1-15-12-13-20(31-2)19(14-15)26-22(30)21(16-8-4-3-5-9-16)32-24-29-28-23(33-24)27-18-11-7-6-10-17(18)25/h3-14,21H,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide has a molecular weight of 480.59 g/mol, XLogP of 6.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 3626493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).