N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide

C13H12BrIN2OS — CID 78948597

IUPACN-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)c1csc(I)c1
InChIInChI=1S/C13H12BrIN2OS/c1-17(2)11-4-3-9(14)6-10(11)16-13(18)8-5-12(15)19-7-8/h3-7H,1-2H3,(H,16,18)
InChIKeyYWSMQYSJVLVENT-UHFFFAOYSA-N
MW451.13 g/mol
LogP4.43
Rot. Bonds3

About N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide

N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide (PubChem CID 78948597) has the molecular formula C13H12BrIN2OS and a molecular weight of 451.13 g/mol. Its IUPAC name is N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide
PubChem CID78948597
Molecular FormulaC13H12BrIN2OS
Molecular Weight451.13 g/mol
Exact Mass449.89
IUPAC NameN-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)c1csc(I)c1
InChIInChI=1S/C13H12BrIN2OS/c1-17(2)11-4-3-9(14)6-10(11)16-13(18)8-5-12(15)19-7-8/h3-7H,1-2H3,(H,16,18)
InChIKeyYWSMQYSJVLVENT-UHFFFAOYSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.13
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide
CID 78948478
N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78949454
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide
CID 63526166
2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 103758959
N-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide
CID 81259590
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide
CID 61213111
N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide
CID 63860296
N-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide
CID 78948667
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 103889568
4-bromo-N-[2-(dimethylamino)phenyl]benzamide
CID 30875552

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide?
The IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide (CID 78948597) is N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide is CN(C)c1ccc(Br)cc1NC(=O)c1csc(I)c1.
What is the InChIKey of N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide?
The InChIKey is YWSMQYSJVLVENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrIN2OS/c1-17(2)11-4-3-9(14)6-10(11)16-13(18)8-5-12(15)19-7-8/h3-7H,1-2H3,(H,16,18).
What are the key properties of N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide?
N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide has a molecular weight of 451.13 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78948597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).