N-(4-amino-3-methoxyphenyl)-2,5-dibromothiophene-3-carboxamide

C12H10Br2N2O2S — CID 103805348

IUPACN-(4-amino-3-methoxyphenyl)-2,5-dibromothiophene-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)sc2Br)ccc1N
InChIInChI=1S/C12H10Br2N2O2S/c1-18-9-4-6(2-3-8(9)15)16-12(17)7-5-10(13)19-11(7)14/h2-5H,15H2,1H3,(H,16,17)
InChIKeySDZAFXSPPKCYPR-UHFFFAOYSA-N
MW406.10 g/mol
LogP4.12
Rot. Bonds3

About N-(4-amino-3-methoxyphenyl)-2,5-dibromothiophene-3-carboxamide

N-(4-amino-3-methoxyphenyl)-2,5-dibromothiophene-3-carboxamide (PubChem CID 103805348) has the molecular formula C12H10Br2N2O2S and a molecular weight of 406.10 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)-2,5-dibromothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)-2,5-dibromothiophene-3-carboxamide
PubChem CID103805348
Molecular FormulaC12H10Br2N2O2S
Molecular Weight406.10 g/mol
Exact Mass403.88
IUPAC NameN-(4-amino-3-methoxyphenyl)-2,5-dibromothiophene-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)sc2Br)ccc1N
InChIInChI=1S/C12H10Br2N2O2S/c1-18-9-4-6(2-3-8(9)15)16-12(17)7-5-10(13)19-11(7)14/h2-5H,15H2,1H3,(H,16,17)
InChIKeySDZAFXSPPKCYPR-UHFFFAOYSA-N
XLogP4.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.10
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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N-(4-amino-3-methoxyphenyl)-2-ethoxybenzamide
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N-(4-amino-3-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
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1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea
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N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
CID 105063037
3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea
CID 79154526
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2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide
CID 62510394

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)-2,5-dibromothiophene-3-carboxamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)-2,5-dibromothiophene-3-carboxamide (CID 103805348) is N-(4-amino-3-methoxyphenyl)-2,5-dibromothiophene-3-carboxamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)-2,5-dibromothiophene-3-carboxamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)-2,5-dibromothiophene-3-carboxamide is COc1cc(NC(=O)c2cc(Br)sc2Br)ccc1N.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)-2,5-dibromothiophene-3-carboxamide?
The InChIKey is SDZAFXSPPKCYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2S/c1-18-9-4-6(2-3-8(9)15)16-12(17)7-5-10(13)19-11(7)14/h2-5H,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-3-methoxyphenyl)-2,5-dibromothiophene-3-carboxamide?
N-(4-amino-3-methoxyphenyl)-2,5-dibromothiophene-3-carboxamide has a molecular weight of 406.10 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methoxyphenyl)-2,5-dibromothiophene-3-carboxamide is sourced from PubChem (CID 103805348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).