N-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide

C13H20N2OS — CID 134064867

IUPACN-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide
SMILESCN(C)CCSCC(=O)NCc1ccccc1
InChIInChI=1S/C13H20N2OS/c1-15(2)8-9-17-11-13(16)14-10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,14,16)
InChIKeySYEHTWXKEUKDEY-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.60
Rot. Bonds7

About N-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide

N-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide (PubChem CID 134064867) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide
PubChem CID134064867
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide
SMILESCN(C)CCSCC(=O)NCc1ccccc1
InChIInChI=1S/C13H20N2OS/c1-15(2)8-9-17-11-13(16)14-10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,14,16)
InChIKeySYEHTWXKEUKDEY-UHFFFAOYSA-N
XLogP1.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-2-[2-(dimethylamino)ethylsulfanyl]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

N-benzyl-2-butylsulfanylacetamide
CID 112781296
N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide
CID 3296654
2-[2-(benzylamino)-2-oxoethyl]sulfanylacetate
CID 7020290
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-benzylacetamide
CID 2819433
2-(2-aminopropylsulfanyl)-N-benzylacetamide
CID 66220422
2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 880125
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
N-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide
CID 2819419
N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150102
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
methyl 3-[2-(benzylcarbamoylamino)-2-oxoethyl]sulfanylpropanoate
CID 8766158
3-[[2-(benzylamino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 94804307

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide (CID 134064867) is N-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide is CN(C)CCSCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide?
The InChIKey is SYEHTWXKEUKDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-15(2)8-9-17-11-13(16)14-10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,14,16).
What are the key properties of N-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide?
N-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide has a molecular weight of 252.38 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide is sourced from PubChem (CID 134064867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).