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

C13H20N2OS2 — CID 66217319

IUPAC2-(3-aminopropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide
SMILESNCCCSCC(=O)NCCSc1ccccc1
InChIInChI=1S/C13H20N2OS2/c14-7-4-9-17-11-13(16)15-8-10-18-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,14H2,(H,15,16)
InChIKeyANCHWOPZYUKXLM-UHFFFAOYSA-N
MW284.45 g/mol
LogP1.98
Rot. Bonds9

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

2-(3-aminopropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 66217319) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-(3-aminopropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide
PubChem CID66217319
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC Name2-(3-aminopropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide
SMILESNCCCSCC(=O)NCCSc1ccccc1
InChIInChI=1S/C13H20N2OS2/c14-7-4-9-17-11-13(16)15-8-10-18-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,14H2,(H,15,16)
InChIKeyANCHWOPZYUKXLM-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide
CID 66126582
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
4-oxo-4-(2-phenylsulfanylethylamino)butanoic acid
CID 54881086
2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 9483105
1,3-bis(2-phenylsulfanylethyl)thiourea
CID 9284073
N-(3-bromopropyl)-2-phenylsulfanylacetamide
CID 69178614
N'-(2-phenylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 11708797
2-ethoxy-N-(2-phenylsulfanylethyl)acetamide
CID 60668624
N-(2-phenylsulfanylethyl)-4-(propan-2-ylamino)butanamide
CID 54881093

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-(3-aminopropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide (CID 66217319) is 2-(3-aminopropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(3-aminopropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-(3-aminopropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide is NCCCSCC(=O)NCCSc1ccccc1.
What is the InChIKey of 2-(3-aminopropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is ANCHWOPZYUKXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS2/c14-7-4-9-17-11-13(16)15-8-10-18-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,14H2,(H,15,16).
What are the key properties of 2-(3-aminopropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide?
2-(3-aminopropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 284.45 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 66217319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).