N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide

C20H24N2O2S — CID 7654950

IUPACN-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
SMILESCc1ccccc1CSCC(=O)NCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C20H24N2O2S/c1-14-7-4-5-10-17(14)12-25-13-19(24)21-11-18(23)22-20-15(2)8-6-9-16(20)3/h4-10H,11-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeySVTMOPULHXDMOF-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.60
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide

N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide (PubChem CID 7654950) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
PubChem CID7654950
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
SMILESCc1ccccc1CSCC(=O)NCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C20H24N2O2S/c1-14-7-4-5-10-17(14)12-25-13-19(24)21-11-18(23)22-20-15(2)8-6-9-16(20)3/h4-10H,11-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeySVTMOPULHXDMOF-UHFFFAOYSA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 62772095
N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7985076
2-[(2-methylphenyl)methylsulfanyl]-N-prop-2-ynylacetamide
CID 78815263
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 846734
N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 7676848
2-[(2-bromophenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 4184529
N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 676282
2-[(2-methylphenyl)methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 2985571
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 112997001

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide (CID 7654950) is N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide is Cc1ccccc1CSCC(=O)NCC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide?
The InChIKey is SVTMOPULHXDMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-14-7-4-5-10-17(14)12-25-13-19(24)21-11-18(23)22-20-15(2)8-6-9-16(20)3/h4-10H,11-13H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide?
N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide has a molecular weight of 356.49 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 7654950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).