4-bromo-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide

C11H10BrNOS2 — CID 71806700

IUPAC4-bromo-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCc1ccsc1)c1cc(Br)cs1
InChIInChI=1S/C11H10BrNOS2/c12-9-5-10(16-7-9)11(14)13-3-1-8-2-4-15-6-8/h2,4-7H,1,3H2,(H,13,14)
InChIKeyNRRMJKJIANZEHI-UHFFFAOYSA-N
MW316.25 g/mol
LogP3.54
Rot. Bonds4

About 4-bromo-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide

4-bromo-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide (PubChem CID 71806700) has the molecular formula C11H10BrNOS2 and a molecular weight of 316.25 g/mol. Its IUPAC name is 4-bromo-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide
PubChem CID71806700
Molecular FormulaC11H10BrNOS2
Molecular Weight316.25 g/mol
Exact Mass314.94
IUPAC Name4-bromo-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCc1ccsc1)c1cc(Br)cs1
InChIInChI=1S/C11H10BrNOS2/c12-9-5-10(16-7-9)11(14)13-3-1-8-2-4-15-6-8/h2,4-7H,1,3H2,(H,13,14)
InChIKeyNRRMJKJIANZEHI-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromobenzyl)-2-(2-thienyl)acetamide
CID 1246426
N-{4-[(2-thienylcarbonyl)amino]butyl}-2-thiophenecarboxamide
CID 1752547
5-methyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
CID 1247750
N-[2-(thiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 710249
3-(4-bromophenyl)-N-(2-thienylmethyl)acrylamide
CID 887870
N-{3-[(2-thienylcarbonyl)amino]propyl}-2-thiophenecarboxamide
CID 1788010
5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide
CID 2309203
N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
CID 2960996
5-bromo-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
CID 4655359
N-(3-bromobenzyl)-2-thien-2-ylacetamide
CID 6618871
5-bromo-N-cyclopentylthiophene-2-carboxamide
CID 1245660
N-[(2-bromophenyl)methyl]-2-thiophenecarboxamide
CID 1246750

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide (CID 71806700) is 4-bromo-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide is O=C(NCCc1ccsc1)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide?
The InChIKey is NRRMJKJIANZEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNOS2/c12-9-5-10(16-7-9)11(14)13-3-1-8-2-4-15-6-8/h2,4-7H,1,3H2,(H,13,14).
What are the key properties of 4-bromo-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide?
4-bromo-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide has a molecular weight of 316.25 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 71806700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).