4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

C15H16BrNO2S — CID 78987774

IUPAC4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(C)c1ccc(C)s1
InChIInChI=1S/C15H16BrNO2S/c1-9-4-7-14(20-9)10(2)17-15(18)12-6-5-11(16)8-13(12)19-3/h4-8,10H,1-3H3,(H,17,18)
InChIKeyKUXNMTOZJKXXNK-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.32
Rot. Bonds4

About 4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (PubChem CID 78987774) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
PubChem CID78987774
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(C)c1ccc(C)s1
InChIInChI=1S/C15H16BrNO2S/c1-9-4-7-14(20-9)10(2)17-15(18)12-6-5-11(16)8-13(12)19-3/h4-8,10H,1-3H3,(H,17,18)
InChIKeyKUXNMTOZJKXXNK-UHFFFAOYSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(1,1-dimethoxypropan-2-yl)-2-methoxybenzamide
CID 115369120
4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 115369589
4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 78987865
4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide
CID 78924714
2,4-dibromo-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 107951922
4-bromo-2-methoxy-N-pent-4-en-2-ylbenzamide
CID 115631363
6-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95976841
2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61471804
2-[(4-bromo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115368583
2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 106501543
5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide
CID 61343707
4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide
CID 78956600

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (CID 78987774) is 4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is COc1cc(Br)ccc1C(=O)NC(C)c1ccc(C)s1.
What is the InChIKey of 4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The InChIKey is KUXNMTOZJKXXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-9-4-7-14(20-9)10(2)17-15(18)12-6-5-11(16)8-13(12)19-3/h4-8,10H,1-3H3,(H,17,18).
What are the key properties of 4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide has a molecular weight of 354.27 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 78987774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).