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

C21H20N4O2S2 — CID 2991741

IUPACN-[3-methyl-5-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl]-2-pyridin-2-ylsulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccccn2)cc(NC(=O)CSc2ccccn2)c1
InChIInChI=1S/C21H20N4O2S2/c1-15-10-16(24-18(26)13-28-20-6-2-4-8-22-20)12-17(11-15)25-19(27)14-29-21-7-3-5-9-23-21/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyTYFNXKLDJIQXJS-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.25
Rot. Bonds8

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

N-[3-methyl-5-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 2991741) has the molecular formula C21H20N4O2S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[3-methyl-5-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-methyl-5-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID2991741
Molecular FormulaC21H20N4O2S2
Molecular Weight424.55 g/mol
Exact Mass424.10
IUPAC NameN-[3-methyl-5-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl]-2-pyridin-2-ylsulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccccn2)cc(NC(=O)CSc2ccccn2)c1
InChIInChI=1S/C21H20N4O2S2/c1-15-10-16(24-18(26)13-28-20-6-2-4-8-22-20)12-17(11-15)25-19(27)14-29-21-7-3-5-9-23-21/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyTYFNXKLDJIQXJS-UHFFFAOYSA-N
XLogP4.25
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-methyl-5-[(2-pyridin-2-ylsulfanylacetyl)amino]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

ST4014630
CID 684061
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 2341319
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 2342408
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 5060029
N-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207341
4-[(pyridin-2-ylthio)methyl]quinolin-2(1H)-one
CID 713898
N-(3,5-dimethylphenyl)-2-[(2-methyl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide
CID 9975965
N-(3,5-dimethylphenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 9976097
N-(4-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 9997084
N-(3,5-dimethylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 9997962
N-(3,5-Dimethylphenyl)-2-(2-fluoropyridin-4-ylmethylthio)pyridine-3-carboxamide
CID 10067543
N-(3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 10337042

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[3-methyl-5-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl]-2-pyridin-2-ylsulfanylacetamide (CID 2991741) is N-[3-methyl-5-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[3-methyl-5-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[3-methyl-5-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl]-2-pyridin-2-ylsulfanylacetamide is Cc1cc(NC(=O)CSc2ccccn2)cc(NC(=O)CSc2ccccn2)c1.
What is the InChIKey of N-[3-methyl-5-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is TYFNXKLDJIQXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S2/c1-15-10-16(24-18(26)13-28-20-6-2-4-8-22-20)12-17(11-15)25-19(27)14-29-21-7-3-5-9-23-21/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-methyl-5-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl]-2-pyridin-2-ylsulfanylacetamide?
N-[3-methyl-5-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 424.55 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 2991741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).