3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide

C17H18N2O2S — CID 34568225

IUPAC3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide
SMILESCc1c(NC(=O)CSCc2ccccc2)cccc1C(N)=O
InChIInChI=1S/C17H18N2O2S/c1-12-14(17(18)21)8-5-9-15(12)19-16(20)11-22-10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H2,18,21)(H,19,20)
InChIKeyVJNUTDZSJZIWPL-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.97
Rot. Bonds6

About 3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide

3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide (PubChem CID 34568225) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide
PubChem CID34568225
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide
SMILESCc1c(NC(=O)CSCc2ccccc2)cccc1C(N)=O
InChIInChI=1S/C17H18N2O2S/c1-12-14(17(18)21)8-5-9-15(12)19-16(20)11-22-10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H2,18,21)(H,19,20)
InChIKeyVJNUTDZSJZIWPL-UHFFFAOYSA-N
XLogP2.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide
CID 53279074
2-methyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid
CID 9326313
3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide
CID 53278987
2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide
CID 2985073
3-[(2-chloroacetyl)amino]-2-methylbenzamide
CID 43698457
2-benzylsulfanyl-N-(2-iodophenyl)acetamide
CID 4779995
2-benzylsulfanyl-N-[5-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 40827780
3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide
CID 78987092
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 958766
3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide
CID 54925416
N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 18081104
2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 126032735

Frequently Asked Questions

What is the IUPAC name of 3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide?
The IUPAC name of 3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide (CID 34568225) is 3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide.
What is the SMILES notation for 3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide?
The canonical SMILES for 3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide is Cc1c(NC(=O)CSCc2ccccc2)cccc1C(N)=O.
What is the InChIKey of 3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide?
The InChIKey is VJNUTDZSJZIWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-12-14(17(18)21)8-5-9-15(12)19-16(20)11-22-10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of 3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide?
3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide has a molecular weight of 314.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide is sourced from PubChem (CID 34568225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).