2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide

C18H19BrN2O2S — CID 112842183

IUPAC2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(NC(=O)CSCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C18H19BrN2O2S/c1-20-18(23)17(14-7-3-2-4-8-14)21-16(22)12-24-11-13-6-5-9-15(19)10-13/h2-10,17H,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyGVJDFLPEGCAFGM-UHFFFAOYSA-N
MW407.33 g/mol
LogP3.29
Rot. Bonds7

About 2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide

2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 112842183) has the molecular formula C18H19BrN2O2S and a molecular weight of 407.33 g/mol. Its IUPAC name is 2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide
PubChem CID112842183
Molecular FormulaC18H19BrN2O2S
Molecular Weight407.33 g/mol
Exact Mass406.04
IUPAC Name2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(NC(=O)CSCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C18H19BrN2O2S/c1-20-18(23)17(14-7-3-2-4-8-14)21-16(22)12-24-11-13-6-5-9-15(19)10-13/h2-10,17H,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyGVJDFLPEGCAFGM-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide
CID 97089947
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2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
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2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7699280
1-[(3-bromophenyl)methylsulfanyl]-3-methylbutan-2-one
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N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 110931174
2-[(3-bromophenyl)methylsulfanyl]-N-butylacetamide
CID 84603000
2-[(3-bromophenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132622813
(2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide
CID 42377293
2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide
CID 30471958
2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 30546775
2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
CID 30381565

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide (CID 112842183) is 2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)C(NC(=O)CSCc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is GVJDFLPEGCAFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2S/c1-20-18(23)17(14-7-3-2-4-8-14)21-16(22)12-24-11-13-6-5-9-15(19)10-13/h2-10,17H,11-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide?
2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 407.33 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 112842183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).