3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide

C15H16BrNO2S — CID 35678444

IUPAC3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2cccs2)cc1Br
InChIInChI=1S/C15H16BrNO2S/c1-19-14-6-4-11(9-13(14)16)5-7-15(18)17-10-12-3-2-8-20-12/h2-4,6,8-9H,5,7,10H2,1H3,(H,17,18)
InChIKeyULYMLSVEANOTTD-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.77
Rot. Bonds6

About 3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide

3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 35678444) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID35678444
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2cccs2)cc1Br
InChIInChI=1S/C15H16BrNO2S/c1-19-14-6-4-11(9-13(14)16)5-7-15(18)17-10-12-3-2-8-20-12/h2-4,6,8-9H,5,7,10H2,1H3,(H,17,18)
InChIKeyULYMLSVEANOTTD-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 51230163
3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 46578257
3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 46568198
3-[(3,4-dimethoxyphenyl)methylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 50969709
3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
CID 38013362
N-[3-[3-(3-bromo-4-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 46568166
3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 47129005
N-[(3-bromo-4-methoxyphenyl)methyl]-3-chloropropanamide
CID 115162492
N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570846
3-(3-bromo-4-methoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 31836568
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-bromo-4-methoxybenzoate
CID 9309989
3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide
CID 46466173

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide (CID 35678444) is 3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide is COc1ccc(CCC(=O)NCc2cccs2)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is ULYMLSVEANOTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-19-14-6-4-11(9-13(14)16)5-7-15(18)17-10-12-3-2-8-20-12/h2-4,6,8-9H,5,7,10H2,1H3,(H,17,18).
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide?
3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 354.27 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 35678444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).