3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide

C12H11BrN2O2S — CID 82857699

IUPAC3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2sccc2N)ccc1Br
InChIInChI=1S/C12H11BrN2O2S/c1-17-10-6-7(2-3-8(10)13)15-12(16)11-9(14)4-5-18-11/h2-6H,14H2,1H3,(H,15,16)
InChIKeyOMWGBHAADICAMM-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.35
Rot. Bonds3

About 3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide

3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 82857699) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide
PubChem CID82857699
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC Name3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2sccc2N)ccc1Br
InChIInChI=1S/C12H11BrN2O2S/c1-17-10-6-7(2-3-8(10)13)15-12(16)11-9(14)4-5-18-11/h2-6H,14H2,1H3,(H,15,16)
InChIKeyOMWGBHAADICAMM-UHFFFAOYSA-N
XLogP3.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide
CID 63797635
3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide
CID 103410452
3-(3-aminoprop-1-ynyl)-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide
CID 82860765
3-amino-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 61090375
3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide
CID 82858988
3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide
CID 107571089
4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide
CID 82859976
3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 107980534
N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide
CID 104814524
N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide
CID 81116987
3-amino-N-(4-chlorophenyl)thiophene-2-carboxamide
CID 61092440
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide
CID 81424344

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide (CID 82857699) is 3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide is COc1cc(NC(=O)c2sccc2N)ccc1Br.
What is the InChIKey of 3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is OMWGBHAADICAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c1-17-10-6-7(2-3-8(10)13)15-12(16)11-9(14)4-5-18-11/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide?
3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 327.20 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 82857699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).