N-(3-methoxypropyl)-2-phenylsulfanylacetamide

C12H17NO2S — CID 2271004

IUPACN-(3-methoxypropyl)-2-phenylsulfanylacetamide
SMILESCOCCCNC(=O)CSc1ccccc1
InChIInChI=1S/C12H17NO2S/c1-15-9-5-8-13-12(14)10-16-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,13,14)
InChIKeySCRQWWZKADOQLP-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.93
Rot. Bonds7

About N-(3-methoxypropyl)-2-phenylsulfanylacetamide

N-(3-methoxypropyl)-2-phenylsulfanylacetamide (PubChem CID 2271004) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-phenylsulfanylacetamide
PubChem CID2271004
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-(3-methoxypropyl)-2-phenylsulfanylacetamide
SMILESCOCCCNC(=O)CSc1ccccc1
InChIInChI=1S/C12H17NO2S/c1-15-9-5-8-13-12(14)10-16-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,13,14)
InChIKeySCRQWWZKADOQLP-UHFFFAOYSA-N
XLogP1.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.93
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-methoxypropyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(3-methoxypropyl)-2-phenylsulfanylacetamide (CID 2271004) is N-(3-methoxypropyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-phenylsulfanylacetamide is COCCCNC(=O)CSc1ccccc1.
What is the InChIKey of N-(3-methoxypropyl)-2-phenylsulfanylacetamide?
The InChIKey is SCRQWWZKADOQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-15-9-5-8-13-12(14)10-16-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,13,14).
What are the key properties of N-(3-methoxypropyl)-2-phenylsulfanylacetamide?
N-(3-methoxypropyl)-2-phenylsulfanylacetamide has a molecular weight of 239.34 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 2271004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).