2-[2-(4-ethylanilino)-2-oxoethyl]sulfinyl-N-(3-phenylpropyl)acetamide

C21H26N2O3S — CID 3226744

IUPAC2-[2-(4-ethylanilino)-2-oxoethyl]sulfinyl-N-(3-phenylpropyl)acetamide
SMILESCCc1ccc(NC(=O)CS(=O)CC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-17-10-12-19(13-11-17)23-21(25)16-27(26)15-20(24)22-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13H,2,6,9,14-16H2,1H3,(H,22,24)(H,23,25)
InChIKeyGJUNFBCIOMLXTM-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.69
Rot. Bonds10

About 2-[2-(4-ethylanilino)-2-oxoethyl]sulfinyl-N-(3-phenylpropyl)acetamide

2-[2-(4-ethylanilino)-2-oxoethyl]sulfinyl-N-(3-phenylpropyl)acetamide (PubChem CID 3226744) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[2-(4-ethylanilino)-2-oxoethyl]sulfinyl-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylanilino)-2-oxoethyl]sulfinyl-N-(3-phenylpropyl)acetamide
PubChem CID3226744
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-[2-(4-ethylanilino)-2-oxoethyl]sulfinyl-N-(3-phenylpropyl)acetamide
SMILESCCc1ccc(NC(=O)CS(=O)CC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-17-10-12-19(13-11-17)23-21(25)16-27(26)15-20(24)22-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13H,2,6,9,14-16H2,1H3,(H,22,24)(H,23,25)
InChIKeyGJUNFBCIOMLXTM-UHFFFAOYSA-N
XLogP2.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[2-(4-ethylanilino)-2-oxoethyl]sulfinyl-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[2-(4-ethylanilino)-2-oxoethyl]sulfinyl-N-(3-phenylpropyl)acetamide (CID 3226744) is 2-[2-(4-ethylanilino)-2-oxoethyl]sulfinyl-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[2-(4-ethylanilino)-2-oxoethyl]sulfinyl-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[2-(4-ethylanilino)-2-oxoethyl]sulfinyl-N-(3-phenylpropyl)acetamide is CCc1ccc(NC(=O)CS(=O)CC(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-ethylanilino)-2-oxoethyl]sulfinyl-N-(3-phenylpropyl)acetamide?
The InChIKey is GJUNFBCIOMLXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-2-17-10-12-19(13-11-17)23-21(25)16-27(26)15-20(24)22-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13H,2,6,9,14-16H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-[2-(4-ethylanilino)-2-oxoethyl]sulfinyl-N-(3-phenylpropyl)acetamide?
2-[2-(4-ethylanilino)-2-oxoethyl]sulfinyl-N-(3-phenylpropyl)acetamide has a molecular weight of 386.52 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylanilino)-2-oxoethyl]sulfinyl-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 3226744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).