2-(4-amino-2-bromophenyl)sulfanyl-N-ethyl-N-methylacetamide

C11H15BrN2OS — CID 82841917

IUPAC2-(4-amino-2-bromophenyl)sulfanyl-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CSc1ccc(N)cc1Br
InChIInChI=1S/C11H15BrN2OS/c1-3-14(2)11(15)7-16-10-5-4-8(13)6-9(10)12/h4-6H,3,7,13H2,1-2H3
InChIKeyHDSVNFIJIQHKQU-UHFFFAOYSA-N
MW303.22 g/mol
LogP2.60
Rot. Bonds4

About 2-(4-amino-2-bromophenyl)sulfanyl-N-ethyl-N-methylacetamide

2-(4-amino-2-bromophenyl)sulfanyl-N-ethyl-N-methylacetamide (PubChem CID 82841917) has the molecular formula C11H15BrN2OS and a molecular weight of 303.22 g/mol. Its IUPAC name is 2-(4-amino-2-bromophenyl)sulfanyl-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-bromophenyl)sulfanyl-N-ethyl-N-methylacetamide
PubChem CID82841917
Molecular FormulaC11H15BrN2OS
Molecular Weight303.22 g/mol
Exact Mass302.01
IUPAC Name2-(4-amino-2-bromophenyl)sulfanyl-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CSc1ccc(N)cc1Br
InChIInChI=1S/C11H15BrN2OS/c1-3-14(2)11(15)7-16-10-5-4-8(13)6-9(10)12/h4-6H,3,7,13H2,1-2H3
InChIKeyHDSVNFIJIQHKQU-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 82840597
2-(4-amino-2-bromophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 82841279
2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 82840777
2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-cyanoethyl)-N-methylacetamide
CID 43303529
2-(4-amino-2-bromophenyl)sulfanyl-N-heptan-2-ylacetamide
CID 82840579
2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-ethyl-N-methylacetamide
CID 61359830
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 82841898
3-bromo-4-[3-(dimethylamino)propylsulfanyl]aniline
CID 114525561
2-(2-amino-4-bromophenyl)sulfanyl-N,N-diethylacetamide
CID 43306118
2-(4-amino-2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 82841648
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide
CID 82841973
3-bromo-4-(2-methylbutylsulfanyl)aniline
CID 82841459

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-bromophenyl)sulfanyl-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(4-amino-2-bromophenyl)sulfanyl-N-ethyl-N-methylacetamide (CID 82841917) is 2-(4-amino-2-bromophenyl)sulfanyl-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-2-bromophenyl)sulfanyl-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(4-amino-2-bromophenyl)sulfanyl-N-ethyl-N-methylacetamide is CCN(C)C(=O)CSc1ccc(N)cc1Br.
What is the InChIKey of 2-(4-amino-2-bromophenyl)sulfanyl-N-ethyl-N-methylacetamide?
The InChIKey is HDSVNFIJIQHKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-3-14(2)11(15)7-16-10-5-4-8(13)6-9(10)12/h4-6H,3,7,13H2,1-2H3.
What are the key properties of 2-(4-amino-2-bromophenyl)sulfanyl-N-ethyl-N-methylacetamide?
2-(4-amino-2-bromophenyl)sulfanyl-N-ethyl-N-methylacetamide has a molecular weight of 303.22 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-bromophenyl)sulfanyl-N-ethyl-N-methylacetamide is sourced from PubChem (CID 82841917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).