N-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide

C17H13BrN2O2S — CID 20943514

IUPACN-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1noc2c1CCc1sccc1-2
InChIInChI=1S/C17H13BrN2O2S/c1-9-8-10(18)2-4-13(9)19-17(21)15-12-3-5-14-11(6-7-23-14)16(12)22-20-15/h2,4,6-8H,3,5H2,1H3,(H,19,21)
InChIKeyBALURMHSNAGMCI-UHFFFAOYSA-N
MW389.27 g/mol
LogP4.82
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide

N-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (PubChem CID 20943514) has the molecular formula C17H13BrN2O2S and a molecular weight of 389.27 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
PubChem CID20943514
Molecular FormulaC17H13BrN2O2S
Molecular Weight389.27 g/mol
Exact Mass387.99
IUPAC NameN-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1noc2c1CCc1sccc1-2
InChIInChI=1S/C17H13BrN2O2S/c1-9-8-10(18)2-4-13(9)19-17(21)15-12-3-5-14-11(6-7-23-14)16(12)22-20-15/h2,4,6-8H,3,5H2,1H3,(H,19,21)
InChIKeyBALURMHSNAGMCI-UHFFFAOYSA-N
XLogP4.82
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943516
N-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 20948601
N-[2-(azepan-1-yl)ethyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943646
N-(4-bromo-2-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388945
4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687389
N-[2-(2,4-dimethoxyphenyl)ethyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943651
N-methyl-N-phenyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943593
N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943684
N-[(2R)-1-morpholin-4-ylbutan-2-yl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 92724412
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625575
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (CID 20943514) is N-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is Cc1cc(Br)ccc1NC(=O)c1noc2c1CCc1sccc1-2.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The InChIKey is BALURMHSNAGMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2S/c1-9-8-10(18)2-4-13(9)19-17(21)15-12-3-5-14-11(6-7-23-14)16(12)22-20-15/h2,4,6-8H,3,5H2,1H3,(H,19,21).
What are the key properties of N-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
N-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide has a molecular weight of 389.27 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 20943514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).