2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide

C11H16Br2N2OS — CID 103918751

IUPAC2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H16Br2N2OS/c1-14(2)5-4-6-15(3)11(16)8-7-9(12)17-10(8)13/h7H,4-6H2,1-3H3
InChIKeyVGVCKXBZXJMTHR-UHFFFAOYSA-N
MW384.14 g/mol
LogP3.30
Rot. Bonds5

About 2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide

2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide (PubChem CID 103918751) has the molecular formula C11H16Br2N2OS and a molecular weight of 384.14 g/mol. Its IUPAC name is 2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide
PubChem CID103918751
Molecular FormulaC11H16Br2N2OS
Molecular Weight384.14 g/mol
Exact Mass381.94
IUPAC Name2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H16Br2N2OS/c1-14(2)5-4-6-15(3)11(16)8-7-9(12)17-10(8)13/h7H,4-6H2,1-3H3
InChIKeyVGVCKXBZXJMTHR-UHFFFAOYSA-N
XLogP3.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.14
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2,5-dibromo-N-methylthiophene-3-carboxamide
CID 107961668
2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide
CID 107965873
4-bromo-N-[3-(dimethylamino)propyl]-N-methyl-2-sulfanylbenzamide
CID 107029984
2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide
CID 113237231
2,5-dibromo-N,N-diethylthiophene-3-carboxamide
CID 103672324
4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide
CID 55228118
2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide
CID 107966256
5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide
CID 63693697
methyl 4-[(2-bromo-5-methylthiophene-3-carbonyl)-methylamino]butanoate
CID 75426660
2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 114021512
2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide
CID 107962236
2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide
CID 63695458

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide (CID 103918751) is 2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide is CN(C)CCCN(C)C(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide?
The InChIKey is VGVCKXBZXJMTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2OS/c1-14(2)5-4-6-15(3)11(16)8-7-9(12)17-10(8)13/h7H,4-6H2,1-3H3.
What are the key properties of 2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide?
2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide has a molecular weight of 384.14 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 103918751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).