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

C13H18BrNOS — CID 106128603

IUPACN-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCC2CCC(Br)C2)s1
InChIInChI=1S/C13H18BrNOS/c1-2-11-5-6-12(17-11)13(16)15-8-9-3-4-10(14)7-9/h5-6,9-10H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyLQLHYYOFAYIZRO-UHFFFAOYSA-N
MW316.26 g/mol
LogP3.60
Rot. Bonds4

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

N-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide (PubChem CID 106128603) has the molecular formula C13H18BrNOS and a molecular weight of 316.26 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide
PubChem CID106128603
Molecular FormulaC13H18BrNOS
Molecular Weight316.26 g/mol
Exact Mass315.03
IUPAC NameN-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCC2CCC(Br)C2)s1
InChIInChI=1S/C13H18BrNOS/c1-2-11-5-6-12(17-11)13(16)15-8-9-3-4-10(14)7-9/h5-6,9-10H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyLQLHYYOFAYIZRO-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 53.60
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-bromocyclohexyl)methyl]-5-nitrothiophene-2-carboxamide
CID 106132688
N-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 106128324
N-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide
CID 80662719
N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106128022
N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide
CID 106128590
N-[(3-bromocyclopentyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 106127943
N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide
CID 63298785
N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
CID 106128335
N-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide
CID 106127955
N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 106128032
N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide
CID 114147220
N-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide
CID 106133052

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide (CID 106128603) is N-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)NCC2CCC(Br)C2)s1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide?
The InChIKey is LQLHYYOFAYIZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNOS/c1-2-11-5-6-12(17-11)13(16)15-8-9-3-4-10(14)7-9/h5-6,9-10H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide?
N-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide has a molecular weight of 316.26 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 106128603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).