2-(2-bromo-N-methylsulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide

C15H23BrN2O3S2 — CID 2286940

IUPAC2-(2-bromo-N-methylsulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide
SMILESCC(C)(C)SCCNC(=O)CN(c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C15H23BrN2O3S2/c1-15(2,3)22-10-9-17-14(19)11-18(23(4,20)21)13-8-6-5-7-12(13)16/h5-8H,9-11H2,1-4H3,(H,17,19)
InChIKeyNNBUTAGOITVFLQ-UHFFFAOYSA-N
MW423.40 g/mol
LogP2.86
Rot. Bonds7

About 2-(2-bromo-N-methylsulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide

2-(2-bromo-N-methylsulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide (PubChem CID 2286940) has the molecular formula C15H23BrN2O3S2 and a molecular weight of 423.40 g/mol. Its IUPAC name is 2-(2-bromo-N-methylsulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-N-methylsulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide
PubChem CID2286940
Molecular FormulaC15H23BrN2O3S2
Molecular Weight423.40 g/mol
Exact Mass422.03
IUPAC Name2-(2-bromo-N-methylsulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide
SMILESCC(C)(C)SCCNC(=O)CN(c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C15H23BrN2O3S2/c1-15(2,3)22-10-9-17-14(19)11-18(23(4,20)21)13-8-6-5-7-12(13)16/h5-8H,9-11H2,1-4H3,(H,17,19)
InChIKeyNNBUTAGOITVFLQ-UHFFFAOYSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-tert-butylsulfanylethyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 2290460
N-(2-tert-butylsulfanylethyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 2289798
2-(2-bromo-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 126033010
2-(2-bromo-N-methylsulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 2276018
N-(3-benzylsulfanylpropyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide
CID 30223972
N-(2-tert-butylsulfanylethyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 3969796
2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide
CID 47409304
2-(2-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 2209148
2-(2-bromo-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1348545
2-(2-bromo-N-methylsulfonylanilino)-N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 30223990
2-(2-bromo-N-methylsulfonylanilino)-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30223978
N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide
CID 113071538

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-N-methylsulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide?
The IUPAC name of 2-(2-bromo-N-methylsulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide (CID 2286940) is 2-(2-bromo-N-methylsulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-N-methylsulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide?
The canonical SMILES for 2-(2-bromo-N-methylsulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide is CC(C)(C)SCCNC(=O)CN(c1ccccc1Br)S(C)(=O)=O.
What is the InChIKey of 2-(2-bromo-N-methylsulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide?
The InChIKey is NNBUTAGOITVFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3S2/c1-15(2,3)22-10-9-17-14(19)11-18(23(4,20)21)13-8-6-5-7-12(13)16/h5-8H,9-11H2,1-4H3,(H,17,19).
What are the key properties of 2-(2-bromo-N-methylsulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide?
2-(2-bromo-N-methylsulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide has a molecular weight of 423.40 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-N-methylsulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide is sourced from PubChem (CID 2286940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).