N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide

C19H22BrNOS — CID 4092566

IUPACN-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
SMILESCc1ccc(C(C)(C)C)cc1SCC(=O)Nc1ccccc1Br
InChIInChI=1S/C19H22BrNOS/c1-13-9-10-14(19(2,3)4)11-17(13)23-12-18(22)21-16-8-6-5-7-15(16)20/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyPGSIVZJGAKYVIC-UHFFFAOYSA-N
MW392.36 g/mol
LogP5.79
Rot. Bonds4

About N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide

N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide (PubChem CID 4092566) has the molecular formula C19H22BrNOS and a molecular weight of 392.36 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
PubChem CID4092566
Molecular FormulaC19H22BrNOS
Molecular Weight392.36 g/mol
Exact Mass391.06
IUPAC NameN-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
SMILESCc1ccc(C(C)(C)C)cc1SCC(=O)Nc1ccccc1Br
InChIInChI=1S/C19H22BrNOS/c1-13-9-10-14(19(2,3)4)11-17(13)23-12-18(22)21-16-8-6-5-7-15(16)20/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyPGSIVZJGAKYVIC-UHFFFAOYSA-N
XLogP5.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.36
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4201897
N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide
CID 109008293
N-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
CID 3610323
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 4299760
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 3686573
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide
CID 79143132
N-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide
CID 27801085
2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8590599
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide
CID 82841973
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290
N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079697
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide (CID 4092566) is N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide is Cc1ccc(C(C)(C)C)cc1SCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide?
The InChIKey is PGSIVZJGAKYVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNOS/c1-13-9-10-14(19(2,3)4)11-17(13)23-12-18(22)21-16-8-6-5-7-15(16)20/h5-11H,12H2,1-4H3,(H,21,22).
What are the key properties of N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide?
N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide has a molecular weight of 392.36 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 4092566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).