N-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide

C15H16BrNOS — CID 106128324

IUPACN-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CCC(Br)C1)c1cc2ccccc2s1
InChIInChI=1S/C15H16BrNOS/c16-12-6-5-10(7-12)9-17-15(18)14-8-11-3-1-2-4-13(11)19-14/h1-4,8,10,12H,5-7,9H2,(H,17,18)
InChIKeyQFJQBBIBAIGWQY-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.19
Rot. Bonds3

About N-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide

N-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 106128324) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID106128324
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC NameN-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CCC(Br)C1)c1cc2ccccc2s1
InChIInChI=1S/C15H16BrNOS/c16-12-6-5-10(7-12)9-17-15(18)14-8-11-3-1-2-4-13(11)19-14/h1-4,8,10,12H,5-7,9H2,(H,17,18)
InChIKeyQFJQBBIBAIGWQY-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.19
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

N-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 106126739
N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 103280071
N-[(3-bromocyclopentyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 106127943
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-benzothiophene-2-carboxamide
CID 91624557
N-[(4-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
CID 106134351
N-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide
CID 106128603
N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
CID 106128335
5-amino-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107294726
N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide
CID 106128590
N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]-1-benzothiophene-2-carboxamide
CID 23965170
N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
CID 106128171
N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 65109783

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide (CID 106128324) is N-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide is O=C(NCC1CCC(Br)C1)c1cc2ccccc2s1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is QFJQBBIBAIGWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c16-12-6-5-10(7-12)9-17-15(18)14-8-11-3-1-2-4-13(11)19-14/h1-4,8,10,12H,5-7,9H2,(H,17,18).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
N-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 338.27 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106128324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).