2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide

C9H10Cl3NOS — CID 107966047

IUPAC2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide
SMILESCC(Cl)CCNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H10Cl3NOS/c1-5(10)2-3-13-9(14)6-4-7(11)15-8(6)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyJFDFHEOQJBKTJX-UHFFFAOYSA-N
MW286.61 g/mol
LogP3.80
Rot. Bonds4

About 2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide

2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide (PubChem CID 107966047) has the molecular formula C9H10Cl3NOS and a molecular weight of 286.61 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide
PubChem CID107966047
Molecular FormulaC9H10Cl3NOS
Molecular Weight286.61 g/mol
Exact Mass284.95
IUPAC Name2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide
SMILESCC(Cl)CCNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H10Cl3NOS/c1-5(10)2-3-13-9(14)6-4-7(11)15-8(6)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyJFDFHEOQJBKTJX-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.61
LogP ≤ 53.80
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-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide
CID 107966173
2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide
CID 111447072
2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide
CID 103919609
N-(2-amino-2-methylpropyl)-2,5-dichlorothiophene-3-carboxamide
CID 103807484
N-(3-chlorobutyl)-2,5-difluorobenzamide
CID 114301989
2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide
CID 17409200
2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide
CID 103825906
N-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dichlorothiophene-3-carboxamide
CID 107965178
2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide
CID 106354736
N-(3-chlorobutyl)-2,4-dimethoxybenzamide
CID 114301807
ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate
CID 103604563
N-(3-chlorobutyl)-2-iodobenzamide
CID 114301785

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide (CID 107966047) is 2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide is CC(Cl)CCNC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide?
The InChIKey is JFDFHEOQJBKTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl3NOS/c1-5(10)2-3-13-9(14)6-4-7(11)15-8(6)12/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide?
2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide has a molecular weight of 286.61 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide is sourced from PubChem (CID 107966047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).