N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide

C12H16BrNO2S — CID 106366441

IUPACN-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NC1CCCC1CBr
InChIInChI=1S/C12H16BrNO2S/c1-16-10-5-6-17-11(10)12(15)14-9-4-2-3-8(9)7-13/h5-6,8-9H,2-4,7H2,1H3,(H,14,15)
InChIKeyYLJOYTMGDGGMDU-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.05
Rot. Bonds4

About N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide

N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide (PubChem CID 106366441) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide
PubChem CID106366441
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NC1CCCC1CBr
InChIInChI=1S/C12H16BrNO2S/c1-16-10-5-6-17-11(10)12(15)14-9-4-2-3-8(9)7-13/h5-6,8-9H,2-4,7H2,1H3,(H,14,15)
InChIKeyYLJOYTMGDGGMDU-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide
CID 81122470
N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide
CID 106366310
N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide
CID 106366534
N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide
CID 106366287
4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide
CID 106367431
N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide
CID 113272650
N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide
CID 106366535
3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 106364449
3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide
CID 124848819
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-methoxythiophene-2-carboxamide
CID 107867966
N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide
CID 106366771
N-(2-aminocyclopentyl)-3-ethylthiophene-2-carboxamide
CID 63251494

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide (CID 106366441) is N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)NC1CCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide?
The InChIKey is YLJOYTMGDGGMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-16-10-5-6-17-11(10)12(15)14-9-4-2-3-8(9)7-13/h5-6,8-9H,2-4,7H2,1H3,(H,14,15).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide?
N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 106366441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).