2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C12H11Cl2F3N2O2S — CID 55849078

IUPAC2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC(=O)CSc1cc(Cl)ccc1Cl)NCC(F)(F)F
InChIInChI=1S/C12H11Cl2F3N2O2S/c13-7-1-2-8(14)9(3-7)22-5-11(21)18-4-10(20)19-6-12(15,16)17/h1-3H,4-6H2,(H,18,21)(H,19,20)
InChIKeyCCZKCYSRSUZLND-UHFFFAOYSA-N
MW375.20 g/mol
LogP2.88
Rot. Bonds6

About 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55849078) has the molecular formula C12H11Cl2F3N2O2S and a molecular weight of 375.20 g/mol. Its IUPAC name is 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55849078
Molecular FormulaC12H11Cl2F3N2O2S
Molecular Weight375.20 g/mol
Exact Mass373.99
IUPAC Name2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC(=O)CSc1cc(Cl)ccc1Cl)NCC(F)(F)F
InChIInChI=1S/C12H11Cl2F3N2O2S/c13-7-1-2-8(14)9(3-7)22-5-11(21)18-4-10(20)19-6-12(15,16)17/h1-3H,4-6H2,(H,18,21)(H,19,20)
InChIKeyCCZKCYSRSUZLND-UHFFFAOYSA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.20
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)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

2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43305339
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 3338455
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 83029637
2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide
CID 115628169
2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 2536420
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2110304
2-(4-amino-3-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79149534
N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 24641164
2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43249189
2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 2536490
2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 3443038
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7870470

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 55849078) is 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNC(=O)CSc1cc(Cl)ccc1Cl)NCC(F)(F)F.
What is the InChIKey of 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CCZKCYSRSUZLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2F3N2O2S/c13-7-1-2-8(14)9(3-7)22-5-11(21)18-4-10(20)19-6-12(15,16)17/h1-3H,4-6H2,(H,18,21)(H,19,20).
What are the key properties of 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 375.20 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55849078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).