2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide

C13H19NO2S2 — CID 66126582

IUPAC2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(CSCCCO)NCCSc1ccccc1
InChIInChI=1S/C13H19NO2S2/c15-8-4-9-17-11-13(16)14-7-10-18-12-5-2-1-3-6-12/h1-3,5-6,15H,4,7-11H2,(H,14,16)
InChIKeyFIFPAKLWJCZTPF-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.01
Rot. Bonds9

About 2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide

2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 66126582) has the molecular formula C13H19NO2S2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide
PubChem CID66126582
Molecular FormulaC13H19NO2S2
Molecular Weight285.43 g/mol
Exact Mass285.09
IUPAC Name2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(CSCCCO)NCCSc1ccccc1
InChIInChI=1S/C13H19NO2S2/c15-8-4-9-17-11-13(16)14-7-10-18-12-5-2-1-3-6-12/h1-3,5-6,15H,4,7-11H2,(H,14,16)
InChIKeyFIFPAKLWJCZTPF-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide 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-(3-aminopropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide
CID 66217319
2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 3774392
4-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]sulfanyl-N-(2,4,6-trimethylphenyl)butanamide
CID 18272553
2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 62000718
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide
CID 2208014
N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide
CID 103919353
4-oxo-4-(2-phenylsulfanylethylamino)butanoic acid
CID 54881086
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide
CID 103767427
1,3-bis(2-phenylsulfanylethyl)thiourea
CID 9284073
2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 9483105
N-butyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66127230
N-(3-bromopropyl)-2-phenylsulfanylacetamide
CID 69178614

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide (CID 66126582) is 2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide is O=C(CSCCCO)NCCSc1ccccc1.
What is the InChIKey of 2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is FIFPAKLWJCZTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S2/c15-8-4-9-17-11-13(16)14-7-10-18-12-5-2-1-3-6-12/h1-3,5-6,15H,4,7-11H2,(H,14,16).
What are the key properties of 2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide?
2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 285.43 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 66126582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).