2-(3-amino-2-methylpropyl)sulfanyl-N-(2-bromophenyl)acetamide

C12H17BrN2OS — CID 66226971

IUPAC2-(3-amino-2-methylpropyl)sulfanyl-N-(2-bromophenyl)acetamide
SMILESCC(CN)CSCC(=O)Nc1ccccc1Br
InChIInChI=1S/C12H17BrN2OS/c1-9(6-14)7-17-8-12(16)15-11-5-3-2-4-10(11)13/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyXURTZJXTXYWGAM-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.72
Rot. Bonds6

About 2-(3-amino-2-methylpropyl)sulfanyl-N-(2-bromophenyl)acetamide

2-(3-amino-2-methylpropyl)sulfanyl-N-(2-bromophenyl)acetamide (PubChem CID 66226971) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfanyl-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfanyl-N-(2-bromophenyl)acetamide
PubChem CID66226971
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name2-(3-amino-2-methylpropyl)sulfanyl-N-(2-bromophenyl)acetamide
SMILESCC(CN)CSCC(=O)Nc1ccccc1Br
InChIInChI=1S/C12H17BrN2OS/c1-9(6-14)7-17-8-12(16)15-11-5-3-2-4-10(11)13/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyXURTZJXTXYWGAM-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-2-methylpropyl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 66226752
2-(3-amino-2-methylpropyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 66224752
2-(3-amino-2-methylpropyl)sulfanyl-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 66227687
3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 24710815
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 66103390
2-(3-amino-2-methylpropyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 66224988
2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 66225221
2-[2-(2-bromoanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 40913778
N-(2-bromophenyl)-2-(2-cyanoethylsulfanyl)acetamide
CID 82531499
N-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 111542622
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(2-bromo-4-methylphenyl)-2-(2-methylpropylsulfanyl)acetamide
CID 78760934

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-(2-bromophenyl)acetamide (CID 66226971) is 2-(3-amino-2-methylpropyl)sulfanyl-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfanyl-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfanyl-N-(2-bromophenyl)acetamide is CC(CN)CSCC(=O)Nc1ccccc1Br.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfanyl-N-(2-bromophenyl)acetamide?
The InChIKey is XURTZJXTXYWGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-9(6-14)7-17-8-12(16)15-11-5-3-2-4-10(11)13/h2-5,9H,6-8,14H2,1H3,(H,15,16).
What are the key properties of 2-(3-amino-2-methylpropyl)sulfanyl-N-(2-bromophenyl)acetamide?
2-(3-amino-2-methylpropyl)sulfanyl-N-(2-bromophenyl)acetamide has a molecular weight of 317.25 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)sulfanyl-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 66226971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).