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

C15H23NO3S — CID 75869890

IUPACN-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide
SMILESCCOCCCNC(=O)C(C)Sc1cccc(OC)c1
InChIInChI=1S/C15H23NO3S/c1-4-19-10-6-9-16-15(17)12(2)20-14-8-5-7-13(11-14)18-3/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,16,17)
InChIKeyVYOGWQVCRRJCLB-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.72
Rot. Bonds9

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

N-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide (PubChem CID 75869890) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide
PubChem CID75869890
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide
SMILESCCOCCCNC(=O)C(C)Sc1cccc(OC)c1
InChIInChI=1S/C15H23NO3S/c1-4-19-10-6-9-16-15(17)12(2)20-14-8-5-7-13(11-14)18-3/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,16,17)
InChIKeyVYOGWQVCRRJCLB-UHFFFAOYSA-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

(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28632770
(2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide
CID 94809014
N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide
CID 3584948
(2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide
CID 95172605
(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 35041164
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340
N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 55546559
2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide
CID 46770327
N-(3-ethoxypropyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 55524859
(2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide
CID 40604017
(2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 30369620

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide (CID 75869890) is N-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide is CCOCCCNC(=O)C(C)Sc1cccc(OC)c1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide?
The InChIKey is VYOGWQVCRRJCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-19-10-6-9-16-15(17)12(2)20-14-8-5-7-13(11-14)18-3/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,16,17).
What are the key properties of N-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide?
N-(3-ethoxypropyl)-2-(3-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 N-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 75869890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).