2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide

C16H16BrNO2S — CID 30522406

IUPAC2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCC2(c3cccs3)CC2)c1
InChIInChI=1S/C16H16BrNO2S/c1-20-11-4-5-13(17)12(9-11)15(19)18-10-16(6-7-16)14-3-2-8-21-14/h2-5,8-9H,6-7,10H2,1H3,(H,18,19)
InChIKeyDERDPSKDANVWHK-UHFFFAOYSA-N
MW366.28 g/mol
LogP3.98
Rot. Bonds5

About 2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide

2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide (PubChem CID 30522406) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide
PubChem CID30522406
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC Name2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCC2(c3cccs3)CC2)c1
InChIInChI=1S/C16H16BrNO2S/c1-20-11-4-5-13(17)12(9-11)15(19)18-10-16(6-7-16)14-3-2-8-21-14/h2-5,8-9H,6-7,10H2,1H3,(H,18,19)
InChIKeyDERDPSKDANVWHK-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide
CID 30522244
2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide
CID 71782171
2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 113252964
methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate
CID 30522713
2-bromo-5-methoxy-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]benzamide
CID 91631307
2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide
CID 129397711
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 27754373
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide
CID 155801431
2-bromo-5-methoxy-N-(1-methylcyclopropyl)benzamide
CID 115634288

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide (CID 30522406) is 2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide is COc1ccc(Br)c(C(=O)NCC2(c3cccs3)CC2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide?
The InChIKey is DERDPSKDANVWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c1-20-11-4-5-13(17)12(9-11)15(19)18-10-16(6-7-16)14-3-2-8-21-14/h2-5,8-9H,6-7,10H2,1H3,(H,18,19).
What are the key properties of 2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide?
2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide has a molecular weight of 366.28 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 30522406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).