2-(2-aminophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide

C16H18N2O2S — CID 972877

IUPAC2-(2-aminophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2ccccc2N)cc1
InChIInChI=1S/C16H18N2O2S/c1-2-20-13-9-7-12(8-10-13)18-16(19)11-21-15-6-4-3-5-14(15)17/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeyUQMKHCANDGMNLE-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.40
Rot. Bonds6

About 2-(2-aminophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide

2-(2-aminophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide (PubChem CID 972877) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
PubChem CID972877
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2ccccc2N)cc1
InChIInChI=1S/C16H18N2O2S/c1-2-20-13-9-7-12(8-10-13)18-16(19)11-21-15-6-4-3-5-14(15)17/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeyUQMKHCANDGMNLE-UHFFFAOYSA-N
XLogP3.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide (CID 972877) is 2-(2-aminophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSc2ccccc2N)cc1.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
The InChIKey is UQMKHCANDGMNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-2-20-13-9-7-12(8-10-13)18-16(19)11-21-15-6-4-3-5-14(15)17/h3-10H,2,11,17H2,1H3,(H,18,19).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
2-(2-aminophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide has a molecular weight of 302.40 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 972877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).