N-(6-bromohexyl)-3-ethylthiophene-2-carboxamide

C13H20BrNOS — CID 107847427

IUPACN-(6-bromohexyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCCCCCCBr
InChIInChI=1S/C13H20BrNOS/c1-2-11-7-10-17-12(11)13(16)15-9-6-4-3-5-8-14/h7,10H,2-6,8-9H2,1H3,(H,15,16)
InChIKeyNLQXAVRTJWADLV-UHFFFAOYSA-N
MW318.28 g/mol
LogP4.00
Rot. Bonds8

About N-(6-bromohexyl)-3-ethylthiophene-2-carboxamide

N-(6-bromohexyl)-3-ethylthiophene-2-carboxamide (PubChem CID 107847427) has the molecular formula C13H20BrNOS and a molecular weight of 318.28 g/mol. Its IUPAC name is N-(6-bromohexyl)-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-3-ethylthiophene-2-carboxamide
PubChem CID107847427
Molecular FormulaC13H20BrNOS
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC NameN-(6-bromohexyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCCCCCCBr
InChIInChI=1S/C13H20BrNOS/c1-2-11-7-10-17-12(11)13(16)15-9-6-4-3-5-8-14/h7,10H,2-6,8-9H2,1H3,(H,15,16)
InChIKeyNLQXAVRTJWADLV-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopentylpropyl)-3-ethylthiophene-2-carboxamide
CID 55996333
3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide
CID 62658051
2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid
CID 79457347
N-(3-bromopropyl)-3-chlorothiophene-2-carboxamide
CID 80641343
N-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide
CID 107233687
3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
CID 115628193
3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 115700346
4-[(3-ethylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80539115
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
N-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide
CID 63237534
3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618465
N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 78985898

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-(6-bromohexyl)-3-ethylthiophene-2-carboxamide (CID 107847427) is N-(6-bromohexyl)-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-bromohexyl)-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(6-bromohexyl)-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)NCCCCCCBr.
What is the InChIKey of N-(6-bromohexyl)-3-ethylthiophene-2-carboxamide?
The InChIKey is NLQXAVRTJWADLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNOS/c1-2-11-7-10-17-12(11)13(16)15-9-6-4-3-5-8-14/h7,10H,2-6,8-9H2,1H3,(H,15,16).
What are the key properties of N-(6-bromohexyl)-3-ethylthiophene-2-carboxamide?
N-(6-bromohexyl)-3-ethylthiophene-2-carboxamide has a molecular weight of 318.28 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 107847427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).