5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide

C13H11Br2NOS — CID 47097752

IUPAC5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)c1ccc(Br)cc1
InChIInChI=1S/C13H11Br2NOS/c1-8(9-2-4-10(14)5-3-9)16-13(17)11-6-7-12(15)18-11/h2-8H,1H3,(H,16,17)
InChIKeyOXNZSYUTULNFPT-UHFFFAOYSA-N
MW389.11 g/mol
LogP4.76
Rot. Bonds3

About 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide

5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 47097752) has the molecular formula C13H11Br2NOS and a molecular weight of 389.11 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
PubChem CID47097752
Molecular FormulaC13H11Br2NOS
Molecular Weight389.11 g/mol
Exact Mass386.89
IUPAC Name5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)c1ccc(Br)cc1
InChIInChI=1S/C13H11Br2NOS/c1-8(9-2-4-10(14)5-3-9)16-13(17)11-6-7-12(15)18-11/h2-8H,1H3,(H,16,17)
InChIKeyOXNZSYUTULNFPT-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.11
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide
CID 60629480
5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 60674614
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide
CID 47210807
N-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 31495830
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17329824
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789
5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide
CID 61121832
5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223
2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid
CID 81356390
N-[1-(4-bromophenyl)ethyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
CID 86891318
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide
CID 60628969

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide (CID 47097752) is 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide is CC(NC(=O)c1ccc(Br)s1)c1ccc(Br)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is OXNZSYUTULNFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NOS/c1-8(9-2-4-10(14)5-3-9)16-13(17)11-6-7-12(15)18-11/h2-8H,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide?
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 389.11 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 47097752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).