3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide

C17H17BrN2O2S — CID 35309767

IUPAC3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CSc2ccccc2Br)c1
InChIInChI=1S/C17H17BrN2O2S/c1-20(2)17(22)12-6-5-7-13(10-12)19-16(21)11-23-15-9-4-3-8-14(15)18/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyAQZWUSVLGVYIQY-UHFFFAOYSA-N
MW393.31 g/mol
LogP3.88
Rot. Bonds5

About 3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide

3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide (PubChem CID 35309767) has the molecular formula C17H17BrN2O2S and a molecular weight of 393.31 g/mol. Its IUPAC name is 3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
PubChem CID35309767
Molecular FormulaC17H17BrN2O2S
Molecular Weight393.31 g/mol
Exact Mass392.02
IUPAC Name3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CSc2ccccc2Br)c1
InChIInChI=1S/C17H17BrN2O2S/c1-20(2)17(22)12-6-5-7-13(10-12)19-16(21)11-23-15-9-4-3-8-14(15)18/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyAQZWUSVLGVYIQY-UHFFFAOYSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 29331419
N,N-dimethyl-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 32849543
2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 92513721
N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide
CID 60594436
N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide
CID 75374320
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 29331343
3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 35042935
N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide
CID 54819069
3-[[2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 78838707
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanylbenzoic acid
CID 17497756
N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 4237422

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide (CID 35309767) is 3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)CSc2ccccc2Br)c1.
What is the InChIKey of 3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is AQZWUSVLGVYIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2S/c1-20(2)17(22)12-6-5-7-13(10-12)19-16(21)11-23-15-9-4-3-8-14(15)18/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of 3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide?
3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 393.31 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 35309767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).