N-[3-[benzyl(methyl)amino]propyl]-2-phenylsulfanylacetamide

C19H24N2OS — CID 177335645

IUPACN-[3-[benzyl(methyl)amino]propyl]-2-phenylsulfanylacetamide
SMILESCN(CCCNC(=O)CSc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H24N2OS/c1-21(15-17-9-4-2-5-10-17)14-8-13-20-19(22)16-23-18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3,(H,20,22)
InChIKeyBCDJRPQDUGVCFH-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.42
Rot. Bonds9

About N-[3-[benzyl(methyl)amino]propyl]-2-phenylsulfanylacetamide

N-[3-[benzyl(methyl)amino]propyl]-2-phenylsulfanylacetamide (PubChem CID 177335645) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-2-phenylsulfanylacetamide
PubChem CID177335645
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-2-phenylsulfanylacetamide
SMILESCN(CCCNC(=O)CSc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H24N2OS/c1-21(15-17-9-4-2-5-10-17)14-8-13-20-19(22)16-23-18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3,(H,20,22)
InChIKeyBCDJRPQDUGVCFH-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
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 N-[3-[benzyl(methyl)amino]propyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-phenylsulfanylacetamide (CID 177335645) is N-[3-[benzyl(methyl)amino]propyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-2-phenylsulfanylacetamide is CN(CCCNC(=O)CSc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-2-phenylsulfanylacetamide?
The InChIKey is BCDJRPQDUGVCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-21(15-17-9-4-2-5-10-17)14-8-13-20-19(22)16-23-18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3,(H,20,22).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-2-phenylsulfanylacetamide?
N-[3-[benzyl(methyl)amino]propyl]-2-phenylsulfanylacetamide has a molecular weight of 328.48 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 177335645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).