N-(3-methoxypropyl)-3-phenylsulfanylpropanamide

C13H19NO2S — CID 3138314

IUPACN-(3-methoxypropyl)-3-phenylsulfanylpropanamide
SMILESCOCCCNC(=O)CCSc1ccccc1
InChIInChI=1S/C13H19NO2S/c1-16-10-5-9-14-13(15)8-11-17-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,14,15)
InChIKeyASBKMQOINOKPSX-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.32
Rot. Bonds8

About N-(3-methoxypropyl)-3-phenylsulfanylpropanamide

N-(3-methoxypropyl)-3-phenylsulfanylpropanamide (PubChem CID 3138314) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-phenylsulfanylpropanamide
PubChem CID3138314
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(3-methoxypropyl)-3-phenylsulfanylpropanamide
SMILESCOCCCNC(=O)CCSc1ccccc1
InChIInChI=1S/C13H19NO2S/c1-16-10-5-9-14-13(15)8-11-17-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,14,15)
InChIKeyASBKMQOINOKPSX-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.32
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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Related Compounds

4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 43239197
3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide
CID 55536116
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690
2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide
CID 38567183
N-but-3-ynyl-3-phenylsulfanylpropanamide
CID 90537944
N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 112991215
N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide
CID 51076427
N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide
CID 103919353
4-oxo-4-(2-phenylsulfanylethylamino)butanoic acid
CID 54881086
N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide
CID 107300336
N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide
CID 115628160
5-[3-(4-methylphenyl)sulfanylpropanoylamino]pentanoic acid
CID 62032494

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(3-methoxypropyl)-3-phenylsulfanylpropanamide (CID 3138314) is N-(3-methoxypropyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(3-methoxypropyl)-3-phenylsulfanylpropanamide is COCCCNC(=O)CCSc1ccccc1.
What is the InChIKey of N-(3-methoxypropyl)-3-phenylsulfanylpropanamide?
The InChIKey is ASBKMQOINOKPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-16-10-5-9-14-13(15)8-11-17-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,14,15).
What are the key properties of N-(3-methoxypropyl)-3-phenylsulfanylpropanamide?
N-(3-methoxypropyl)-3-phenylsulfanylpropanamide has a molecular weight of 253.37 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 3138314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).