3-(2-bromophenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide

C16H24BrNO2S — CID 55760574

IUPAC3-(2-bromophenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide
SMILESCOCCN(CC(C)C)C(=O)CCSc1ccccc1Br
InChIInChI=1S/C16H24BrNO2S/c1-13(2)12-18(9-10-20-3)16(19)8-11-21-15-7-5-4-6-14(15)17/h4-7,13H,8-12H2,1-3H3
InChIKeyKLWMOCIKYVKPQI-UHFFFAOYSA-N
MW374.34 g/mol
LogP4.06
Rot. Bonds9

About 3-(2-bromophenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide

3-(2-bromophenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide (PubChem CID 55760574) has the molecular formula C16H24BrNO2S and a molecular weight of 374.34 g/mol. Its IUPAC name is 3-(2-bromophenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide
PubChem CID55760574
Molecular FormulaC16H24BrNO2S
Molecular Weight374.34 g/mol
Exact Mass373.07
IUPAC Name3-(2-bromophenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide
SMILESCOCCN(CC(C)C)C(=O)CCSc1ccccc1Br
InChIInChI=1S/C16H24BrNO2S/c1-13(2)12-18(9-10-20-3)16(19)8-11-21-15-7-5-4-6-14(15)17/h4-7,13H,8-12H2,1-3H3
InChIKeyKLWMOCIKYVKPQI-UHFFFAOYSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 78853346
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide
CID 78876109
2-(2-chlorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 78853411
4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 78884888
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 52574191
2-[3-(2-chlorophenyl)sulfanylpropanoyl-(2-methylpropyl)amino]acetic acid
CID 63071063
3-(2-bromophenyl)sulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 71685833
N-(2-methoxyethyl)-N-(2-methylpropyl)-2-phenylpentanamide
CID 78853977
1-bromo-2-(3-methylbutylsulfanyl)benzene
CID 91658466
2-(4-aminophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 54906294
2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide
CID 112777986
N-(3-amino-2,2-dimethylpropyl)-3-(2-bromophenyl)sulfanyl-N-methylpropanamide
CID 119653858

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(2-bromophenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide (CID 55760574) is 3-(2-bromophenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(2-bromophenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(2-bromophenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide is COCCN(CC(C)C)C(=O)CCSc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide?
The InChIKey is KLWMOCIKYVKPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2S/c1-13(2)12-18(9-10-20-3)16(19)8-11-21-15-7-5-4-6-14(15)17/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 3-(2-bromophenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide?
3-(2-bromophenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide has a molecular weight of 374.34 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 55760574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).