N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide

C12H10BrNO3S — CID 113254483

IUPACN-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
SMILESO=C(NCc1cc(Br)cs1)c1c(O)cccc1O
InChIInChI=1S/C12H10BrNO3S/c13-7-4-8(18-6-7)5-14-12(17)11-9(15)2-1-3-10(11)16/h1-4,6,15-16H,5H2,(H,14,17)
InChIKeyLMUWUTBLWRTOBL-UHFFFAOYSA-N
MW328.19 g/mol
LogP2.85
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide

N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide (PubChem CID 113254483) has the molecular formula C12H10BrNO3S and a molecular weight of 328.19 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
PubChem CID113254483
Molecular FormulaC12H10BrNO3S
Molecular Weight328.19 g/mol
Exact Mass326.96
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
SMILESO=C(NCc1cc(Br)cs1)c1c(O)cccc1O
InChIInChI=1S/C12H10BrNO3S/c13-7-4-8(18-6-7)5-14-12(17)11-9(15)2-1-3-10(11)16/h1-4,6,15-16H,5H2,(H,14,17)
InChIKeyLMUWUTBLWRTOBL-UHFFFAOYSA-N
XLogP2.85
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide
CID 107729654
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 60793136
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-3-nitrobenzamide
CID 103746388
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829795
N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide
CID 80979266
N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide
CID 47352361
N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 47250397
N-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 47250390
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 47291588
2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide
CID 79723749
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylbenzamide
CID 112729651
N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030617

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide (CID 113254483) is N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide is O=C(NCc1cc(Br)cs1)c1c(O)cccc1O.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide?
The InChIKey is LMUWUTBLWRTOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3S/c13-7-4-8(18-6-7)5-14-12(17)11-9(15)2-1-3-10(11)16/h1-4,6,15-16H,5H2,(H,14,17).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide?
N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide has a molecular weight of 328.19 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide is sourced from PubChem (CID 113254483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).