N-methyl-4-[[2-[2-(3-methylphenoxy)ethylsulfanyl]acetyl]amino]benzamide

C19H22N2O3S — CID 55535269

IUPACN-methyl-4-[[2-[2-(3-methylphenoxy)ethylsulfanyl]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CSCCOc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O3S/c1-14-4-3-5-17(12-14)24-10-11-25-13-18(22)21-16-8-6-15(7-9-16)19(23)20-2/h3-9,12H,10-11,13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNSCJTJDOVAQNFH-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.11
Rot. Bonds8

About N-methyl-4-[[2-[2-(3-methylphenoxy)ethylsulfanyl]acetyl]amino]benzamide

N-methyl-4-[[2-[2-(3-methylphenoxy)ethylsulfanyl]acetyl]amino]benzamide (PubChem CID 55535269) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-methyl-4-[[2-[2-(3-methylphenoxy)ethylsulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-[2-(3-methylphenoxy)ethylsulfanyl]acetyl]amino]benzamide
PubChem CID55535269
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-methyl-4-[[2-[2-(3-methylphenoxy)ethylsulfanyl]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CSCCOc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O3S/c1-14-4-3-5-17(12-14)24-10-11-25-13-18(22)21-16-8-6-15(7-9-16)19(23)20-2/h3-9,12H,10-11,13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNSCJTJDOVAQNFH-UHFFFAOYSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731594
methyl 4-[[2-[2-(4-methylphenoxy)ethylsulfanyl]acetyl]amino]benzoate
CID 31543376
methyl 3-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]sulfanylpropanoate
CID 9344458
N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide
CID 8884397
2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide
CID 40545696
4-[[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 26157492
N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 43888206
N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54823116
2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731597
2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-phenoxyethyl)acetamide
CID 26676729
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 8928716
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-[2-(3-methylphenoxy)ethylsulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-methyl-4-[[2-[2-(3-methylphenoxy)ethylsulfanyl]acetyl]amino]benzamide (CID 55535269) is N-methyl-4-[[2-[2-(3-methylphenoxy)ethylsulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[2-[2-(3-methylphenoxy)ethylsulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[2-[2-(3-methylphenoxy)ethylsulfanyl]acetyl]amino]benzamide is CNC(=O)c1ccc(NC(=O)CSCCOc2cccc(C)c2)cc1.
What is the InChIKey of N-methyl-4-[[2-[2-(3-methylphenoxy)ethylsulfanyl]acetyl]amino]benzamide?
The InChIKey is NSCJTJDOVAQNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-4-3-5-17(12-14)24-10-11-25-13-18(22)21-16-8-6-15(7-9-16)19(23)20-2/h3-9,12H,10-11,13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-methyl-4-[[2-[2-(3-methylphenoxy)ethylsulfanyl]acetyl]amino]benzamide?
N-methyl-4-[[2-[2-(3-methylphenoxy)ethylsulfanyl]acetyl]amino]benzamide has a molecular weight of 358.46 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-[2-(3-methylphenoxy)ethylsulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 55535269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).