2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide

C11H16N2OS — CID 79142549

IUPAC2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSc1cc(C)ccc1N
InChIInChI=1S/C11H16N2OS/c1-3-13-11(14)7-15-10-6-8(2)4-5-9(10)12/h4-6H,3,7,12H2,1-2H3,(H,13,14)
InChIKeyAMWDVPJFKMDONN-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.81
Rot. Bonds4

About 2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide

2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide (PubChem CID 79142549) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide
PubChem CID79142549
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSc1cc(C)ccc1N
InChIInChI=1S/C11H16N2OS/c1-3-13-11(14)7-15-10-6-8(2)4-5-9(10)12/h4-6H,3,7,12H2,1-2H3,(H,13,14)
InChIKeyAMWDVPJFKMDONN-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 79142633
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 79142889
2-(2-amino-5-methylphenyl)sulfanyl-N-tert-butylacetamide
CID 79142290
2-(2-amino-5-methylphenyl)sulfanylacetamide
CID 79142056
2-(2-amino-5-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 79142309
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79127095
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 79126919
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128105
2-(2-amino-5-methylphenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 79128805
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79126902
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide
CID 79143132
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 79142033

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide?
The IUPAC name of 2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide (CID 79142549) is 2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide is CCNC(=O)CSc1cc(C)ccc1N.
What is the InChIKey of 2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide?
The InChIKey is AMWDVPJFKMDONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-13-11(14)7-15-10-6-8(2)4-5-9(10)12/h4-6H,3,7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide?
2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide has a molecular weight of 224.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide is sourced from PubChem (CID 79142549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).