3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide

C18H23BrN2O2S — CID 46578257

IUPAC3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC(c2cccs2)N(C)C)cc1Br
InChIInChI=1S/C18H23BrN2O2S/c1-21(2)15(17-5-4-10-24-17)12-20-18(22)9-7-13-6-8-16(23-3)14(19)11-13/h4-6,8,10-11,15H,7,9,12H2,1-3H3,(H,20,22)
InChIKeyYLVJXCQBFUDUTR-UHFFFAOYSA-N
MW411.37 g/mol
LogP3.87
Rot. Bonds8

About 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide

3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide (PubChem CID 46578257) has the molecular formula C18H23BrN2O2S and a molecular weight of 411.37 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
PubChem CID46578257
Molecular FormulaC18H23BrN2O2S
Molecular Weight411.37 g/mol
Exact Mass410.07
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC(c2cccs2)N(C)C)cc1Br
InChIInChI=1S/C18H23BrN2O2S/c1-21(2)15(17-5-4-10-24-17)12-20-18(22)9-7-13-6-8-16(23-3)14(19)11-13/h4-6,8,10-11,15H,7,9,12H2,1-3H3,(H,20,22)
InChIKeyYLVJXCQBFUDUTR-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 43067259
3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 35678444
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
2-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]butanoic acid
CID 65219208
2-(5-acetyl-2-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 18161796
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
CID 30834274
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
CID 79200485
3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
CID 38013362
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methoxyethoxy)acetamide
CID 103606863
N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110304317
N-[3-[3-(3-bromo-4-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 46568166
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
CID 46685783

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide (CID 46578257) is 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide is COc1ccc(CCC(=O)NCC(c2cccs2)N(C)C)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide?
The InChIKey is YLVJXCQBFUDUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2S/c1-21(2)15(17-5-4-10-24-17)12-20-18(22)9-7-13-6-8-16(23-3)14(19)11-13/h4-6,8,10-11,15H,7,9,12H2,1-3H3,(H,20,22).
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide?
3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide has a molecular weight of 411.37 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 46578257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).