N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide

C14H21NO2S — CID 3584948

IUPACN-(3-ethoxypropyl)-2-phenylsulfanylpropanamide
SMILESCCOCCCNC(=O)C(C)Sc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-3-17-11-7-10-15-14(16)12(2)18-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,15,16)
InChIKeyHBZVPENEQZZKFA-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.71
Rot. Bonds8

About N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide

N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide (PubChem CID 3584948) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-phenylsulfanylpropanamide
PubChem CID3584948
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(3-ethoxypropyl)-2-phenylsulfanylpropanamide
SMILESCCOCCCNC(=O)C(C)Sc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-3-17-11-7-10-15-14(16)12(2)18-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,15,16)
InChIKeyHBZVPENEQZZKFA-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28632770
(2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide
CID 40604017
N-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide
CID 75869890
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
2-ethoxyethyl 2-phenylsulfanylpropanoate
CID 78832473
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698
2-(4-chlorophenyl)sulfanyl-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 134029703
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 133166181
(2R)-2-phenylsulfanyl-N-[3-[[(2R)-2-phenylsulfanylpropanoyl]sulfamoyl]propyl]propanamide
CID 95354875
2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide
CID 56543299
(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082799

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide?
The IUPAC name of N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide (CID 3584948) is N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide is CCOCCCNC(=O)C(C)Sc1ccccc1.
What is the InChIKey of N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide?
The InChIKey is HBZVPENEQZZKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-17-11-7-10-15-14(16)12(2)18-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,15,16).
What are the key properties of N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide?
N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide has a molecular weight of 267.39 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 3584948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).