2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide

C20H24N2O2S2 — CID 7784841

IUPAC2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
SMILESO=C(CSCc1ccccc1)NCCNC(=O)CSCc1ccccc1
InChIInChI=1S/C20H24N2O2S2/c23-19(15-25-13-17-7-3-1-4-8-17)21-11-12-22-20(24)16-26-14-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,23)(H,22,24)
InChIKeyDTSDHVZYIFJWGO-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.09
Rot. Bonds11

About 2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide

2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide (PubChem CID 7784841) has the molecular formula C20H24N2O2S2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
PubChem CID7784841
Molecular FormulaC20H24N2O2S2
Molecular Weight388.56 g/mol
Exact Mass388.13
IUPAC Name2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
SMILESO=C(CSCc1ccccc1)NCCNC(=O)CSCc1ccccc1
InChIInChI=1S/C20H24N2O2S2/c23-19(15-25-13-17-7-3-1-4-8-17)21-11-12-22-20(24)16-26-14-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,23)(H,22,24)
InChIKeyDTSDHVZYIFJWGO-UHFFFAOYSA-N
XLogP3.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.09
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-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 3774392
2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide
CID 30349604
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 5152285
2-benzylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78760684
2-benzylsulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide
CID 71787591
2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide
CID 9289997
2-[(4-cyanophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 51168797
2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide
CID 94101603
2-benzylsulfanyl-N-phenylacetamide
CID 584914
2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 880125
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
2-[(2-phenylacetyl)amino]ethyl 2-benzylsulfanylacetate
CID 125462748

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide (CID 7784841) is 2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide is O=C(CSCc1ccccc1)NCCNC(=O)CSCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide?
The InChIKey is DTSDHVZYIFJWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S2/c23-19(15-25-13-17-7-3-1-4-8-17)21-11-12-22-20(24)16-26-14-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,23)(H,22,24).
What are the key properties of 2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide?
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide has a molecular weight of 388.56 g/mol, XLogP of 3.09, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide is sourced from PubChem (CID 7784841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).