4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide

C13H11Br2NOS — CID 19205118

IUPAC4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H11Br2NOS/c14-10-8-11(18-12(10)15)13(17)16-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,16,17)
InChIKeyIWUJSTSXFQBNDE-UHFFFAOYSA-N
MW389.11 g/mol
LogP4.25
Rot. Bonds4

About 4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide

4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide (PubChem CID 19205118) has the molecular formula C13H11Br2NOS and a molecular weight of 389.11 g/mol. Its IUPAC name is 4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide
PubChem CID19205118
Molecular FormulaC13H11Br2NOS
Molecular Weight389.11 g/mol
Exact Mass386.89
IUPAC Name4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H11Br2NOS/c14-10-8-11(18-12(10)15)13(17)16-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,16,17)
InChIKeyIWUJSTSXFQBNDE-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.11
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-carboxamide
CID 4652952
4,5-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55205613
5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid
CID 62033410
4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide
CID 38983446
4,5-dibromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 80536566
3,5-dibromo-N-(2-phenylethyl)benzamide
CID 107980021
4,5-dibromo-N-decylthiophene-2-carboxamide
CID 80536454
4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide
CID 79036871
4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide
CID 32636145
N-[(4,5-dibromothiophen-2-yl)methyl]-2-phenylethanamine
CID 102830487
4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 47099600
4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide
CID 114309271

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide (CID 19205118) is 4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide is O=C(NCCc1ccccc1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide?
The InChIKey is IWUJSTSXFQBNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NOS/c14-10-8-11(18-12(10)15)13(17)16-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,16,17).
What are the key properties of 4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide?
4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide has a molecular weight of 389.11 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19205118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).