N-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide

C19H22N2O3S — CID 2209610

IUPACN-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C19H22N2O3S/c1-14-7-9-15(10-8-14)25-13-18(22)21-17-6-4-3-5-16(17)19(23)20-11-12-24-2/h3-10H,11-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyUTOUJWHBKMWJLX-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.10
Rot. Bonds8

About N-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide

N-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide (PubChem CID 2209610) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
PubChem CID2209610
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C19H22N2O3S/c1-14-7-9-15(10-8-14)25-13-18(22)21-17-6-4-3-5-16(17)19(23)20-11-12-24-2/h3-10H,11-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyUTOUJWHBKMWJLX-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide (CID 2209610) is N-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide is COCCNC(=O)c1ccccc1NC(=O)CSc1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide?
The InChIKey is UTOUJWHBKMWJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-7-9-15(10-8-14)25-13-18(22)21-17-6-4-3-5-16(17)19(23)20-11-12-24-2/h3-10H,11-13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide?
N-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide has a molecular weight of 358.46 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 2209610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).