2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide

C16H24N2O2S — CID 8620942

IUPAC2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CSCc1ccccc1
InChIInChI=1S/C16H24N2O2S/c1-16(2,3)17-14(19)10-18(4)15(20)12-21-11-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,17,19)
InChIKeyDCOUWEWRFBYAGJ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.29
Rot. Bonds6

About 2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide

2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide (PubChem CID 8620942) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide
PubChem CID8620942
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CSCc1ccccc1
InChIInChI=1S/C16H24N2O2S/c1-16(2,3)17-14(19)10-18(4)15(20)12-21-11-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,17,19)
InChIKeyDCOUWEWRFBYAGJ-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide 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-tert-butyl-2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-methylamino]acetamide
CID 31550674
N-tert-butyl-2-[methyl-[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]acetamide
CID 87039831
2-[(2-benzylsulfanylacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24981104
2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438577
N-acetyl-2-benzylsulfanyl-N-methylacetamide
CID 20540314
N-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide
CID 51226996
2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100733886
N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 8848605
N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 8682254
N-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide
CID 9193681
N-tert-butyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 28579550
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 86912821

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide (CID 8620942) is 2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide is CN(CC(=O)NC(C)(C)C)C(=O)CSCc1ccccc1.
What is the InChIKey of 2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide?
The InChIKey is DCOUWEWRFBYAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-16(2,3)17-14(19)10-18(4)15(20)12-21-11-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,17,19).
What are the key properties of 2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide?
2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide has a molecular weight of 308.45 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide is sourced from PubChem (CID 8620942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).