N-(2,3-dimethylphenyl)-2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide

C23H28N2O2S — CID 126245955

IUPACN-(2,3-dimethylphenyl)-2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide
SMILESCc1cccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2)c1C
InChIInChI=1S/C23H28N2O2S/c1-16-11-13-25(14-12-16)23(28)19-7-9-20(10-8-19)27-15-22(26)24-21-6-4-5-17(2)18(21)3/h4-10,16H,11-15H2,1-3H3,(H,24,26)
InChIKeyQGSTZLRDJAJPSH-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.73
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide

N-(2,3-dimethylphenyl)-2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide (PubChem CID 126245955) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide
PubChem CID126245955
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide
SMILESCc1cccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2)c1C
InChIInChI=1S/C23H28N2O2S/c1-16-11-13-25(14-12-16)23(28)19-7-9-20(10-8-19)27-15-22(26)24-21-6-4-5-17(2)18(21)3/h4-10,16H,11-15H2,1-3H3,(H,24,26)
InChIKeyQGSTZLRDJAJPSH-UHFFFAOYSA-N
XLogP4.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbothioyl]phenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 126247127
2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 126241226
N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide
CID 126236353
2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939349
2-[2-iodo-6-methoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 126269116
2-(4-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 17179607
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]azanium
CID 9288048
2-(4-bromophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 17179624
N-(2,3-dimethylphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 27808986
N-(3-methylphenyl)-2-[4-(4-methylpiperazine-1-carbothioyl)phenoxy]acetamide
CID 126245971
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939291
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140402

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide (CID 126245955) is N-(2,3-dimethylphenyl)-2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide is Cc1cccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide?
The InChIKey is QGSTZLRDJAJPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-16-11-13-25(14-12-16)23(28)19-7-9-20(10-8-19)27-15-22(26)24-21-6-4-5-17(2)18(21)3/h4-10,16H,11-15H2,1-3H3,(H,24,26).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide?
N-(2,3-dimethylphenyl)-2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide has a molecular weight of 396.56 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide is sourced from PubChem (CID 126245955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).