2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(2-methylphenyl)acetamide

C17H20N2OS — CID 66349188

IUPAC2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCNCc1cccc(SCC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C17H20N2OS/c1-13-6-3-4-9-16(13)19-17(20)12-21-15-8-5-7-14(10-15)11-18-2/h3-10,18H,11-12H2,1-2H3,(H,19,20)
InChIKeyQVNXVCXBNBWNCD-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.45
Rot. Bonds6

About 2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(2-methylphenyl)acetamide

2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 66349188) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(2-methylphenyl)acetamide
PubChem CID66349188
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCNCc1cccc(SCC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C17H20N2OS/c1-13-6-3-4-9-16(13)19-17(20)12-21-15-8-5-7-14(10-15)11-18-2/h3-10,18H,11-12H2,1-2H3,(H,19,20)
InChIKeyQVNXVCXBNBWNCD-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18906786
2-[[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895638
N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905634
N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide
CID 18905346
N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 18081104
N-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide
CID 94779353
2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methylphenyl)acetamide
CID 19316923
N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 22925705
2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 39922720
N-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide
CID 61244892

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(2-methylphenyl)acetamide (CID 66349188) is 2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(2-methylphenyl)acetamide is CNCc1cccc(SCC(=O)Nc2ccccc2C)c1.
What is the InChIKey of 2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(2-methylphenyl)acetamide?
The InChIKey is QVNXVCXBNBWNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13-6-3-4-9-16(13)19-17(20)12-21-15-8-5-7-14(10-15)11-18-2/h3-10,18H,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(2-methylphenyl)acetamide?
2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 300.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 66349188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).