2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide

C16H24BrNO2S — CID 52574191

IUPAC2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
SMILESCOCCN(CC(C)C)C(=O)CSc1ccc(Br)cc1C
InChIInChI=1S/C16H24BrNO2S/c1-12(2)10-18(7-8-20-4)16(19)11-21-15-6-5-14(17)9-13(15)3/h5-6,9,12H,7-8,10-11H2,1-4H3
InChIKeyKDBKKPHCINYRMR-UHFFFAOYSA-N
MW374.34 g/mol
LogP3.98
Rot. Bonds8

About 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide

2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide (PubChem CID 52574191) has the molecular formula C16H24BrNO2S and a molecular weight of 374.34 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
PubChem CID52574191
Molecular FormulaC16H24BrNO2S
Molecular Weight374.34 g/mol
Exact Mass373.07
IUPAC Name2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
SMILESCOCCN(CC(C)C)C(=O)CSc1ccc(Br)cc1C
InChIInChI=1S/C16H24BrNO2S/c1-12(2)10-18(7-8-20-4)16(19)11-21-15-6-5-14(17)9-13(15)3/h5-6,9,12H,7-8,10-11H2,1-4H3
InChIKeyKDBKKPHCINYRMR-UHFFFAOYSA-N
XLogP3.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide (CID 52574191) is 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide is COCCN(CC(C)C)C(=O)CSc1ccc(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
The InChIKey is KDBKKPHCINYRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2S/c1-12(2)10-18(7-8-20-4)16(19)11-21-15-6-5-14(17)9-13(15)3/h5-6,9,12H,7-8,10-11H2,1-4H3.
What are the key properties of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide has a molecular weight of 374.34 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 52574191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).