N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide

C21H14BrNO4S — CID 19114824

IUPACN-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccs2)cc1Br
InChIInChI=1S/C21H14BrNO4S/c1-26-16-9-8-12(11-14(16)22)19(24)20-18(13-5-2-3-6-15(13)27-20)23-21(25)17-7-4-10-28-17/h2-11H,1H3,(H,23,25)
InChIKeyYDRANOQDXWLTBI-UHFFFAOYSA-N
MW456.32 g/mol
LogP5.75
Rot. Bonds5

About N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide

N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide (PubChem CID 19114824) has the molecular formula C21H14BrNO4S and a molecular weight of 456.32 g/mol. Its IUPAC name is N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
PubChem CID19114824
Molecular FormulaC21H14BrNO4S
Molecular Weight456.32 g/mol
Exact Mass454.98
IUPAC NameN-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccs2)cc1Br
InChIInChI=1S/C21H14BrNO4S/c1-26-16-9-8-12(11-14(16)22)19(24)20-18(13-5-2-3-6-15(13)27-20)23-21(25)17-7-4-10-28-17/h2-11H,1H3,(H,23,25)
InChIKeyYDRANOQDXWLTBI-UHFFFAOYSA-N
XLogP5.75
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.32
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 4065338
N-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)-1-benzofuran-2-carboxamide
CID 16818189
(E)-N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
CID 19114821
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 139582504
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
CID 19114904
2-[[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methoxyphenyl)ethanone
CID 110825684
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 19114863
(3-bromo-4-methoxyphenyl)-[3-[(2-methylphenyl)methylamino]-1-benzofuran-2-yl]methanone
CID 110827348
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide
CID 19114877
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 19114881
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide
CID 19114858
4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide
CID 2138486

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide (CID 19114824) is N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide is COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccs2)cc1Br.
What is the InChIKey of N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide?
The InChIKey is YDRANOQDXWLTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrNO4S/c1-26-16-9-8-12(11-14(16)22)19(24)20-18(13-5-2-3-6-15(13)27-20)23-21(25)17-7-4-10-28-17/h2-11H,1H3,(H,23,25).
What are the key properties of N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide?
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide has a molecular weight of 456.32 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 19114824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).