2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-bromo-2-methylphenyl)acetamide

C19H21BrN2O2S — CID 24981834

IUPAC2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)CSCc1ccccc1
InChIInChI=1S/C19H21BrN2O2S/c1-14-10-16(20)8-9-17(14)21-18(23)11-22(2)19(24)13-25-12-15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3,(H,21,23)
InChIKeyORUMICFYRIAFAK-UHFFFAOYSA-N
MW421.36 g/mol
LogP4.09
Rot. Bonds7

About 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-bromo-2-methylphenyl)acetamide

2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-bromo-2-methylphenyl)acetamide (PubChem CID 24981834) has the molecular formula C19H21BrN2O2S and a molecular weight of 421.36 g/mol. Its IUPAC name is 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-bromo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-bromo-2-methylphenyl)acetamide
PubChem CID24981834
Molecular FormulaC19H21BrN2O2S
Molecular Weight421.36 g/mol
Exact Mass420.05
IUPAC Name2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-bromo-2-methylphenyl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)CSCc1ccccc1
InChIInChI=1S/C19H21BrN2O2S/c1-14-10-16(20)8-9-17(14)21-18(23)11-22(2)19(24)13-25-12-15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3,(H,21,23)
InChIKeyORUMICFYRIAFAK-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-bromo-2-methylphenyl)acetamide?
The IUPAC name of 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-bromo-2-methylphenyl)acetamide (CID 24981834) is 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-bromo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-bromo-2-methylphenyl)acetamide?
The canonical SMILES for 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-bromo-2-methylphenyl)acetamide is Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CSCc1ccccc1.
What is the InChIKey of 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-bromo-2-methylphenyl)acetamide?
The InChIKey is ORUMICFYRIAFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2S/c1-14-10-16(20)8-9-17(14)21-18(23)11-22(2)19(24)13-25-12-15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3,(H,21,23).
What are the key properties of 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-bromo-2-methylphenyl)acetamide?
2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-bromo-2-methylphenyl)acetamide has a molecular weight of 421.36 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-bromo-2-methylphenyl)acetamide is sourced from PubChem (CID 24981834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).