3-[3-oxo-3-(1-phenylethylamino)propyl]sulfanyl-N-(1-phenylethyl)propanamide

C22H28N2O2S — CID 2932093

IUPAC3-[3-oxo-3-(1-phenylethylamino)propyl]sulfanyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCSCCC(=O)NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O2S/c1-17(19-9-5-3-6-10-19)23-21(25)13-15-27-16-14-22(26)24-18(2)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNHQIWWFJTUTRQP-UHFFFAOYSA-N
MW384.54 g/mol
LogP4.25
Rot. Bonds10

About 3-[3-oxo-3-(1-phenylethylamino)propyl]sulfanyl-N-(1-phenylethyl)propanamide

3-[3-oxo-3-(1-phenylethylamino)propyl]sulfanyl-N-(1-phenylethyl)propanamide (PubChem CID 2932093) has the molecular formula C22H28N2O2S and a molecular weight of 384.54 g/mol. Its IUPAC name is 3-[3-oxo-3-(1-phenylethylamino)propyl]sulfanyl-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[3-oxo-3-(1-phenylethylamino)propyl]sulfanyl-N-(1-phenylethyl)propanamide
PubChem CID2932093
Molecular FormulaC22H28N2O2S
Molecular Weight384.54 g/mol
Exact Mass384.19
IUPAC Name3-[3-oxo-3-(1-phenylethylamino)propyl]sulfanyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCSCCC(=O)NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O2S/c1-17(19-9-5-3-6-10-19)23-21(25)13-15-27-16-14-22(26)24-18(2)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNHQIWWFJTUTRQP-UHFFFAOYSA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 54.25
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 3-[3-oxo-3-(1-phenylethylamino)propyl]sulfanyl-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[3-oxo-3-(1-phenylethylamino)propyl]sulfanyl-N-(1-phenylethyl)propanamide (CID 2932093) is 3-[3-oxo-3-(1-phenylethylamino)propyl]sulfanyl-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[3-oxo-3-(1-phenylethylamino)propyl]sulfanyl-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[3-oxo-3-(1-phenylethylamino)propyl]sulfanyl-N-(1-phenylethyl)propanamide is CC(NC(=O)CCSCCC(=O)NC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[3-oxo-3-(1-phenylethylamino)propyl]sulfanyl-N-(1-phenylethyl)propanamide?
The InChIKey is NHQIWWFJTUTRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-17(19-9-5-3-6-10-19)23-21(25)13-15-27-16-14-22(26)24-18(2)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-[3-oxo-3-(1-phenylethylamino)propyl]sulfanyl-N-(1-phenylethyl)propanamide?
3-[3-oxo-3-(1-phenylethylamino)propyl]sulfanyl-N-(1-phenylethyl)propanamide has a molecular weight of 384.54 g/mol, XLogP of 4.25, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-(1-phenylethylamino)propyl]sulfanyl-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 2932093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).