N-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide

C21H16ClF3N4O2S2 — CID 3877586

IUPACN-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1cc(C(F)(F)F)cc(NC(=O)CSc2ccccn2)c1Cl
InChIInChI=1S/C21H16ClF3N4O2S2/c22-20-14(28-16(30)11-32-18-5-1-3-7-26-18)9-13(21(23,24)25)10-15(20)29-17(31)12-33-19-6-2-4-8-27-19/h1-10H,11-12H2,(H,28,30)(H,29,31)
InChIKeyJHMHCOBRFUICKN-UHFFFAOYSA-N
MW512.97 g/mol
LogP5.61
Rot. Bonds8

About N-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide

N-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 3877586) has the molecular formula C21H16ClF3N4O2S2 and a molecular weight of 512.97 g/mol. Its IUPAC name is N-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID3877586
Molecular FormulaC21H16ClF3N4O2S2
Molecular Weight512.97 g/mol
Exact Mass512.04
IUPAC NameN-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1cc(C(F)(F)F)cc(NC(=O)CSc2ccccn2)c1Cl
InChIInChI=1S/C21H16ClF3N4O2S2/c22-20-14(28-16(30)11-32-18-5-1-3-7-26-18)9-13(21(23,24)25)10-15(20)29-17(31)12-33-19-6-2-4-8-27-19/h1-10H,11-12H2,(H,28,30)(H,29,31)
InChIKeyJHMHCOBRFUICKN-UHFFFAOYSA-N
XLogP5.61
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.97
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide 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

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide
CID 2464434
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 17386379
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 16530327
5-[(2-pyridin-2-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 708008
N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
CID 3918454
N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2747614
N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 763188
N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 8813692
N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670646

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide (CID 3877586) is N-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1cc(C(F)(F)F)cc(NC(=O)CSc2ccccn2)c1Cl.
What is the InChIKey of N-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is JHMHCOBRFUICKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N4O2S2/c22-20-14(28-16(30)11-32-18-5-1-3-7-26-18)9-13(21(23,24)25)10-15(20)29-17(31)12-33-19-6-2-4-8-27-19/h1-10H,11-12H2,(H,28,30)(H,29,31).
What are the key properties of N-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide?
N-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 512.97 g/mol, XLogP of 5.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 3877586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).