2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide

C16H17BrN2OS — CID 79519416

IUPAC2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1cc(Br)ccc1N)c1ccccc1
InChIInChI=1S/C16H17BrN2OS/c1-11(12-5-3-2-4-6-12)19-16(20)10-21-15-9-13(17)7-8-14(15)18/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyGZQJYAUILDIBPT-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.00
Rot. Bonds5

About 2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide

2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide (PubChem CID 79519416) has the molecular formula C16H17BrN2OS and a molecular weight of 365.30 g/mol. Its IUPAC name is 2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide
PubChem CID79519416
Molecular FormulaC16H17BrN2OS
Molecular Weight365.30 g/mol
Exact Mass364.02
IUPAC Name2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1cc(Br)ccc1N)c1ccccc1
InChIInChI=1S/C16H17BrN2OS/c1-11(12-5-3-2-4-6-12)19-16(20)10-21-15-9-13(17)7-8-14(15)18/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyGZQJYAUILDIBPT-UHFFFAOYSA-N
XLogP4.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2119755
2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 79533347
2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 43304215
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9218856
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 79533863
2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 9330230
2-(2-methylphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 9330226
2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 6915473
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7415935
4-[[2-(2-amino-5-bromophenyl)sulfanylacetyl]amino]butanoic acid
CID 79532834
3-(2-amino-5-bromophenyl)sulfanyl-2-phenylpropanoic acid
CID 79532878

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide (CID 79519416) is 2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide is CC(NC(=O)CSc1cc(Br)ccc1N)c1ccccc1.
What is the InChIKey of 2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide?
The InChIKey is GZQJYAUILDIBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2OS/c1-11(12-5-3-2-4-6-12)19-16(20)10-21-15-9-13(17)7-8-14(15)18/h2-9,11H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide?
2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide has a molecular weight of 365.30 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 79519416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).