N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C17H11ClF3N3OS2 — CID 4967877

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C(Sc1nncs1)c1ccccc1
InChIInChI=1S/C17H11ClF3N3OS2/c18-11-6-7-13(12(8-11)17(19,20)21)23-15(25)14(10-4-2-1-3-5-10)27-16-24-22-9-26-16/h1-9,14H,(H,23,25)
InChIKeyKHBXJUSOZWVDSY-UHFFFAOYSA-N
MW429.88 g/mol
LogP5.68
Rot. Bonds5

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 4967877) has the molecular formula C17H11ClF3N3OS2 and a molecular weight of 429.88 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID4967877
Molecular FormulaC17H11ClF3N3OS2
Molecular Weight429.88 g/mol
Exact Mass429.00
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C(Sc1nncs1)c1ccccc1
InChIInChI=1S/C17H11ClF3N3OS2/c18-11-6-7-13(12(8-11)17(19,20)21)23-15(25)14(10-4-2-1-3-5-10)27-16-24-22-9-26-16/h1-9,14H,(H,23,25)
InChIKeyKHBXJUSOZWVDSY-UHFFFAOYSA-N
XLogP5.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.88
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 5237403
(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 41001197
(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 40919726
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide
CID 2423301
2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetohydrazide
CID 63581169
4-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786408
3-chloro-N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 21170728
N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4783734
(2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 2464532
N-[3-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18908085
8-[[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22786618
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 4967877) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(Sc1nncs1)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is KHBXJUSOZWVDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3OS2/c18-11-6-7-13(12(8-11)17(19,20)21)23-15(25)14(10-4-2-1-3-5-10)27-16-24-22-9-26-16/h1-9,14H,(H,23,25).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 429.88 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 4967877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).