3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide

C10H13BrClNOS — CID 106129487

IUPAC3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide
SMILESCC(Cl)CCCNC(=O)c1sccc1Br
InChIInChI=1S/C10H13BrClNOS/c1-7(12)3-2-5-13-10(14)9-8(11)4-6-15-9/h4,6-7H,2-3,5H2,1H3,(H,13,14)
InChIKeyGYPOQLMXTREPPN-UHFFFAOYSA-N
MW310.64 g/mol
LogP3.65
Rot. Bonds5

About 3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide

3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide (PubChem CID 106129487) has the molecular formula C10H13BrClNOS and a molecular weight of 310.64 g/mol. Its IUPAC name is 3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide
PubChem CID106129487
Molecular FormulaC10H13BrClNOS
Molecular Weight310.64 g/mol
Exact Mass308.96
IUPAC Name3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide
SMILESCC(Cl)CCCNC(=O)c1sccc1Br
InChIInChI=1S/C10H13BrClNOS/c1-7(12)3-2-5-13-10(14)9-8(11)4-6-15-9/h4,6-7H,2-3,5H2,1H3,(H,13,14)
InChIKeyGYPOQLMXTREPPN-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.64
LogP ≤ 53.65
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

4-[(3-bromothiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538498
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
3-bromo-N-(4-bromo-2-methylbutyl)thiophene-2-carboxamide
CID 114316813
3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031856
3-bromo-N-(4,4,4-trifluorobutyl)thiophene-2-carboxamide
CID 79039212
3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide
CID 64596699
3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide
CID 94156069
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401
3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
CID 63801472
3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide
CID 47343371
3-bromo-N-(2-tert-butylsulfanylethyl)thiophene-2-carboxamide
CID 4985303
2-[[(3-bromothiophene-2-carbonyl)amino]methyl]butanoic acid
CID 65218001

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide (CID 106129487) is 3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide is CC(Cl)CCCNC(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide?
The InChIKey is GYPOQLMXTREPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNOS/c1-7(12)3-2-5-13-10(14)9-8(11)4-6-15-9/h4,6-7H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide?
3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide has a molecular weight of 310.64 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide is sourced from PubChem (CID 106129487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).