(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide

C15H23NO3S — CID 28632770

IUPAC(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCCOCCCNC(=O)[C@H](C)Sc1ccc(OC)cc1
InChIInChI=1S/C15H23NO3S/c1-4-19-11-5-10-16-15(17)12(2)20-14-8-6-13(18-3)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyHTVZFGAHOCPJRV-LBPRGKRZSA-N
MW297.42 g/mol
LogP2.72
Rot. Bonds9

About (2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide

(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 28632770) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is (2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID28632770
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCCOCCCNC(=O)[C@H](C)Sc1ccc(OC)cc1
InChIInChI=1S/C15H23NO3S/c1-4-19-11-5-10-16-15(17)12(2)20-14-8-6-13(18-3)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyHTVZFGAHOCPJRV-LBPRGKRZSA-N
XLogP2.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
N-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide
CID 75869890
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340
N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide
CID 3584948
N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074
ethyl 3-[2-(4-methoxyphenyl)sulfanylpropanoylamino]propanoate
CID 51093901
ethyl 3-[[(2S)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]propanoate
CID 94809358
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 30400150
2-(4-chlorophenyl)sulfanyl-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 134029703
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 38007237
(2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 93488352

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide (CID 28632770) is (2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide is CCOCCCNC(=O)[C@H](C)Sc1ccc(OC)cc1.
What is the InChIKey of (2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is HTVZFGAHOCPJRV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-19-11-5-10-16-15(17)12(2)20-14-8-6-13(18-3)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 297.42 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 28632770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).