2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide

C13H20N2O2S — CID 43299392

IUPAC2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Sc1ccc(N)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(13(16)15-8-3-9-17-2)18-12-6-4-11(14)5-7-12/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyDDYHCPSJJHJJQF-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.90
Rot. Bonds7

About 2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide

2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide (PubChem CID 43299392) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide
PubChem CID43299392
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Sc1ccc(N)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(13(16)15-8-3-9-17-2)18-12-6-4-11(14)5-7-12/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyDDYHCPSJJHJJQF-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide 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

2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide
CID 43299407
(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082799
2-(4-chlorophenyl)sulfanyl-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 134029703
2-(4-aminophenyl)sulfanyl-N-ethylpropanamide
CID 43299394
(2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082812
(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28632770
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
(2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 39082461
(2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide
CID 40604017
4-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid
CID 79149512
N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide
CID 3584948
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide (CID 43299392) is 2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Sc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide?
The InChIKey is DDYHCPSJJHJJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(13(16)15-8-3-9-17-2)18-12-6-4-11(14)5-7-12/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide?
2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide has a molecular weight of 268.38 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 43299392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).