N-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide

C9H10BrCl2NOS — CID 107966093

IUPACN-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide
SMILESCCC(CBr)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H10BrCl2NOS/c1-2-5(4-10)13-9(14)6-3-7(11)15-8(6)12/h3,5H,2,4H2,1H3,(H,13,14)
InChIKeyAISFYMWBIOOGMG-UHFFFAOYSA-N
MW331.06 g/mol
LogP3.96
Rot. Bonds4

About N-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide

N-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide (PubChem CID 107966093) has the molecular formula C9H10BrCl2NOS and a molecular weight of 331.06 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide
PubChem CID107966093
Molecular FormulaC9H10BrCl2NOS
Molecular Weight331.06 g/mol
Exact Mass328.90
IUPAC NameN-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide
SMILESCCC(CBr)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H10BrCl2NOS/c1-2-5(4-10)13-9(14)6-3-7(11)15-8(6)12/h3,5H,2,4H2,1H3,(H,13,14)
InChIKeyAISFYMWBIOOGMG-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.06
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide
CID 114307803
2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide
CID 17409200
ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate
CID 47069930
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dichlorothiophene-3-carboxamide
CID 114021714
4-(2,5-dichlorothiophen-3-yl)-N-(1-hydroxypentan-3-yl)-4-oxobutanamide
CID 109478928
1-(2,5-dichlorothiophen-3-yl)-2-ethylbutan-1-one
CID 43344748
2-[(2,5-dichlorothiophene-3-carbonyl)amino]butanedioic acid
CID 114020996
2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 103628563
N-(1-bromobutan-2-yl)-4-chloro-2-nitrobenzamide
CID 114307538
2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide
CID 106354736
2,5-dichloro-N-ethoxythiophene-3-carboxamide
CID 47129266
N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide
CID 107966173

Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide (CID 107966093) is N-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide is CCC(CBr)NC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is AISFYMWBIOOGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrCl2NOS/c1-2-5(4-10)13-9(14)6-3-7(11)15-8(6)12/h3,5H,2,4H2,1H3,(H,13,14).
What are the key properties of N-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide?
N-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 331.06 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 107966093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).