2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide

C11H14Cl3NOS — CID 106354736

IUPAC2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide
SMILESCC(C)C(CCCl)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl3NOS/c1-6(2)8(3-4-12)15-11(16)7-5-9(13)17-10(7)14/h5-6,8H,3-4H2,1-2H3,(H,15,16)
InChIKeySOZGWRAAOYACDK-UHFFFAOYSA-N
MW314.67 g/mol
LogP4.44
Rot. Bonds5

About 2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide

2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide (PubChem CID 106354736) has the molecular formula C11H14Cl3NOS and a molecular weight of 314.67 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide
PubChem CID106354736
Molecular FormulaC11H14Cl3NOS
Molecular Weight314.67 g/mol
Exact Mass312.99
IUPAC Name2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide
SMILESCC(C)C(CCCl)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl3NOS/c1-6(2)8(3-4-12)15-11(16)7-5-9(13)17-10(7)14/h5-6,8H,3-4H2,1-2H3,(H,15,16)
InChIKeySOZGWRAAOYACDK-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.67
LogP ≤ 54.44
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

2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide
CID 17409200
2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 103628563
N-(1-chloro-4-methylpentan-3-yl)-2,4-dimethylbenzamide
CID 114177660
N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 114177673
N-(1-chloro-4-methylpentan-3-yl)-2,4-dihydroxybenzamide
CID 106354678
N-(1-chloro-4-methylpentan-3-yl)-2,4-difluorobenzamide
CID 106354787
2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide
CID 106354942
ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate
CID 47069930
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide
CID 106354949
2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide
CID 107966047
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide
CID 106355004
N-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 107966093

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide (CID 106354736) is 2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide is CC(C)C(CCCl)NC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide?
The InChIKey is SOZGWRAAOYACDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3NOS/c1-6(2)8(3-4-12)15-11(16)7-5-9(13)17-10(7)14/h5-6,8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide?
2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide has a molecular weight of 314.67 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 106354736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).