2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide

C17H20N2OS — CID 79128287

IUPAC2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide
SMILESCc1ccc(N)c(SCC(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C17H20N2OS/c1-13-8-9-15(18)16(10-13)21-12-17(20)19(2)11-14-6-4-3-5-7-14/h3-10H,11-12,18H2,1-2H3
InChIKeyHOOVGQVXDVYKTI-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.33
Rot. Bonds5

About 2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide

2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide (PubChem CID 79128287) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide
PubChem CID79128287
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide
SMILESCc1ccc(N)c(SCC(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C17H20N2OS/c1-13-8-9-15(18)16(10-13)21-12-17(20)19(2)11-14-6-4-3-5-7-14/h3-10H,11-12,18H2,1-2H3
InChIKeyHOOVGQVXDVYKTI-UHFFFAOYSA-N
XLogP3.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112786279
2-(2-amino-5-methylphenyl)sulfanylacetamide
CID 79142056
2-(2-amino-4-methylphenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 43302500
2-(2-aminophenyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 43249154
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-methylacetamide
CID 2094252
N-benzyl-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-methylacetamide
CID 47044774
3-[benzyl-[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]propanamide
CID 42150550
2-(2-aminophenyl)sulfanyl-N-benzyl-N-phenylacetamide
CID 858973
2-amino-3-[2-[benzyl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43385226
(2R)-2-amino-3-[2-[benzyl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142225
N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide
CID 112790122
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 79126919

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide?
The IUPAC name of 2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide (CID 79128287) is 2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide is Cc1ccc(N)c(SCC(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of 2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide?
The InChIKey is HOOVGQVXDVYKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13-8-9-15(18)16(10-13)21-12-17(20)19(2)11-14-6-4-3-5-7-14/h3-10H,11-12,18H2,1-2H3.
What are the key properties of 2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide?
2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide has a molecular weight of 300.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide is sourced from PubChem (CID 79128287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).