(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide

C25H18ClF3N2OS — CID 2423301

IUPAC(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide
SMILESCc1cc(S[C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H18ClF3N2OS/c1-15-13-22(30-20-10-6-5-9-18(15)20)33-23(16-7-3-2-4-8-16)24(32)31-21-12-11-17(26)14-19(21)25(27,28)29/h2-14,23H,1H3,(H,31,32)/t23-/m1/s1
InChIKeyUWDAQFFASNRJNA-HSZRJFAPSA-N
MW486.95 g/mol
LogP7.69
Rot. Bonds5

About (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide

(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide (PubChem CID 2423301) has the molecular formula C25H18ClF3N2OS and a molecular weight of 486.95 g/mol. Its IUPAC name is (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide
PubChem CID2423301
Molecular FormulaC25H18ClF3N2OS
Molecular Weight486.95 g/mol
Exact Mass486.08
IUPAC Name(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide
SMILESCc1cc(S[C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H18ClF3N2OS/c1-15-13-22(30-20-10-6-5-9-18(15)20)33-23(16-7-3-2-4-8-16)24(32)31-21-12-11-17(26)14-19(21)25(27,28)29/h2-14,23H,1H3,(H,31,32)/t23-/m1/s1
InChIKeyUWDAQFFASNRJNA-HSZRJFAPSA-N
XLogP7.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.95
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide
CID 3385592
(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 41001197
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4967877
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-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 40919726
3-chloro-N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 21170728
4-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786408
N-[3-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18908085
(2S)-2-(4-methylquinolin-2-yl)sulfanyl-N-(2,4,5-trichlorophenyl)propanamide
CID 2420043
8-[[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22786618
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207
(2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 2464532

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide (CID 2423301) is (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide is Cc1cc(S[C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)nc2ccccc12.
What is the InChIKey of (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide?
The InChIKey is UWDAQFFASNRJNA-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H18ClF3N2OS/c1-15-13-22(30-20-10-6-5-9-18(15)20)33-23(16-7-3-2-4-8-16)24(32)31-21-12-11-17(26)14-19(21)25(27,28)29/h2-14,23H,1H3,(H,31,32)/t23-/m1/s1.
What are the key properties of (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide?
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide has a molecular weight of 486.95 g/mol, XLogP of 7.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 2423301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).