N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide

C14H14Br2N2OS — CID 104859435

IUPACN-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide
SMILESNCCN(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H14Br2N2OS/c15-11-8-12(20-13(11)16)14(19)18(7-6-17)9-10-4-2-1-3-5-10/h1-5,8H,6-7,9,17H2
InChIKeyPLADHJDRPLWELX-UHFFFAOYSA-N
MW418.15 g/mol
LogP3.87
Rot. Bonds5

About N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide

N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide (PubChem CID 104859435) has the molecular formula C14H14Br2N2OS and a molecular weight of 418.15 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide
PubChem CID104859435
Molecular FormulaC14H14Br2N2OS
Molecular Weight418.15 g/mol
Exact Mass415.92
IUPAC NameN-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide
SMILESNCCN(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H14Br2N2OS/c15-11-8-12(20-13(11)16)14(19)18(7-6-17)9-10-4-2-1-3-5-10/h1-5,8H,6-7,9,17H2
InChIKeyPLADHJDRPLWELX-UHFFFAOYSA-N
XLogP3.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.15
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4,5-dibromo-N-(2-chloroethyl)thiophene-2-carboxamide
CID 80538131
4,5-dibromo-N-[(4-methylphenyl)methyl]-N-propylthiophene-2-carboxamide
CID 78909790
4,5-dibromo-N-[(3,4-difluorophenyl)methyl]-N-ethylthiophene-2-carboxamide
CID 112725711
N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide
CID 104859489
N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide
CID 107365765
N-(2-aminoethyl)-N-benzyl-3-iodobenzamide
CID 104859550
1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
CID 79153729
4,5-dibromo-N-ethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 112725701
4,5-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47180850
N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide
CID 107365854
N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide
CID 104859488
4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47340324

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide (CID 104859435) is N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide is NCCN(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide?
The InChIKey is PLADHJDRPLWELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2OS/c15-11-8-12(20-13(11)16)14(19)18(7-6-17)9-10-4-2-1-3-5-10/h1-5,8H,6-7,9,17H2.
What are the key properties of N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide?
N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide has a molecular weight of 418.15 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide is sourced from PubChem (CID 104859435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).