5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide

C11H13Br2NOS — CID 107966151

IUPAC5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide
SMILESO=C(NCC1CCCC1Br)c1csc(Br)c1
InChIInChI=1S/C11H13Br2NOS/c12-9-3-1-2-7(9)5-14-11(15)8-4-10(13)16-6-8/h4,6-7,9H,1-3,5H2,(H,14,15)
InChIKeyBRYXPDMRQCYNGU-UHFFFAOYSA-N
MW367.11 g/mol
LogP3.80
Rot. Bonds3

About 5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide

5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide (PubChem CID 107966151) has the molecular formula C11H13Br2NOS and a molecular weight of 367.11 g/mol. Its IUPAC name is 5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide
PubChem CID107966151
Molecular FormulaC11H13Br2NOS
Molecular Weight367.11 g/mol
Exact Mass364.91
IUPAC Name5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide
SMILESO=C(NCC1CCCC1Br)c1csc(Br)c1
InChIInChI=1S/C11H13Br2NOS/c12-9-3-1-2-7(9)5-14-11(15)8-4-10(13)16-6-8/h4,6-7,9H,1-3,5H2,(H,14,15)
InChIKeyBRYXPDMRQCYNGU-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.11
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(cyclobutylmethyl)thiophene-3-carboxamide
CID 33383602
5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide
CID 63525997
4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide
CID 113275135
5-bromo-N-[(4-methylcyclohexyl)methyl]thiophene-3-carboxamide
CID 61380978
4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide
CID 113275433
N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide
CID 114312139
N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide
CID 114313873
N-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide
CID 114823305
5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
CID 61019351
N-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide
CID 114313867
N-[(2-bromocyclopentyl)methyl]-3-nitrobenzamide
CID 114313737
5-bromo-N-[2-(cyclopropylamino)ethyl]thiophene-3-carboxamide
CID 103806386

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide (CID 107966151) is 5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide is O=C(NCC1CCCC1Br)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide?
The InChIKey is BRYXPDMRQCYNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NOS/c12-9-3-1-2-7(9)5-14-11(15)8-4-10(13)16-6-8/h4,6-7,9H,1-3,5H2,(H,14,15).
What are the key properties of 5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide?
5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide has a molecular weight of 367.11 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 107966151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).