N-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]acetamide

C24H26N4O2S — CID 56554759

IUPACN-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1cccc(CSc2ccccn2)c1
InChIInChI=1S/C24H26N4O2S/c1-17-8-6-9-18(2)23(17)27-21(29)15-28(3)24(30)26-20-11-7-10-19(14-20)16-31-22-12-4-5-13-25-22/h4-14H,15-16H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyODCYFTDCHWVFEM-UHFFFAOYSA-N
MW434.57 g/mol
LogP5.09
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]acetamide

N-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]acetamide (PubChem CID 56554759) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]acetamide
PubChem CID56554759
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1cccc(CSc2ccccn2)c1
InChIInChI=1S/C24H26N4O2S/c1-17-8-6-9-18(2)23(17)27-21(29)15-28(3)24(30)26-20-11-7-10-19(14-20)16-31-22-12-4-5-13-25-22/h4-14H,15-16H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyODCYFTDCHWVFEM-UHFFFAOYSA-N
XLogP5.09
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.57
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]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

1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554634
1-[1-(2-chlorophenyl)ethyl]-1-methyl-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554405
2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 86942896
2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide
CID 47002665
1-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-1-methyl-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56566322
2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 52803481
N-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide
CID 56567860
2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 86894459
2-[methyl(pyridin-3-ylcarbamoyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51264566
1-[(3-propan-2-yloxyphenyl)methyl]-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554852
2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 60608009
N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide
CID 55697019

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]acetamide (CID 56554759) is N-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]acetamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1cccc(CSc2ccccn2)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]acetamide?
The InChIKey is ODCYFTDCHWVFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-17-8-6-9-18(2)23(17)27-21(29)15-28(3)24(30)26-20-11-7-10-19(14-20)16-31-22-12-4-5-13-25-22/h4-14H,15-16H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of N-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]acetamide?
N-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]acetamide has a molecular weight of 434.57 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]acetamide is sourced from PubChem (CID 56554759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).