2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide

C20H24N2O2S — CID 2985073

IUPAC2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)CSCc1ccccc1
InChIInChI=1S/C20H24N2O2S/c1-3-22(4-2)20(24)17-12-8-9-13-18(17)21-19(23)15-25-14-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,21,23)
InChIKeyXWZXQYSKGSCKPR-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.04
Rot. Bonds8

About 2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide

2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide (PubChem CID 2985073) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide
PubChem CID2985073
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)CSCc1ccccc1
InChIInChI=1S/C20H24N2O2S/c1-3-22(4-2)20(24)17-12-8-9-13-18(17)21-19(23)15-25-14-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,21,23)
InChIKeyXWZXQYSKGSCKPR-UHFFFAOYSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(diethylcarbamoyl)anilino]-2,2-diethyl-4-oxobutanoic acid
CID 47704268
3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide
CID 34568225
2-benzylsulfanyl-N-(2-iodophenyl)acetamide
CID 4779995
2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 889563
N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 8580172
N-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide
CID 17312378
2-[(2-benzylsulfanylacetyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17312018
2-benzylsulfanyl-N-phenylacetamide
CID 584914
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 875754
2-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]benzoic acid
CID 84554828
2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
CID 39000097
N,N-diethyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119746610

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide?
The IUPAC name of 2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide (CID 2985073) is 2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide.
What is the SMILES notation for 2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide?
The canonical SMILES for 2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccccc1NC(=O)CSCc1ccccc1.
What is the InChIKey of 2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide?
The InChIKey is XWZXQYSKGSCKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-3-22(4-2)20(24)17-12-8-9-13-18(17)21-19(23)15-25-14-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,21,23).
What are the key properties of 2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide?
2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide has a molecular weight of 356.49 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide is sourced from PubChem (CID 2985073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).