N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide

C10H13BrClNOS — CID 114316562

IUPACN-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide
SMILESCC(CCCBr)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H13BrClNOS/c1-7(3-2-6-11)13-10(14)8-4-5-9(12)15-8/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeySOYZQZOCHUBCQB-UHFFFAOYSA-N
MW310.64 g/mol
LogP3.69
Rot. Bonds5

About N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide

N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide (PubChem CID 114316562) has the molecular formula C10H13BrClNOS and a molecular weight of 310.64 g/mol. Its IUPAC name is N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide
PubChem CID114316562
Molecular FormulaC10H13BrClNOS
Molecular Weight310.64 g/mol
Exact Mass308.96
IUPAC NameN-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide
SMILESCC(CCCBr)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H13BrClNOS/c1-7(3-2-6-11)13-10(14)8-4-5-9(12)15-8/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeySOYZQZOCHUBCQB-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
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

5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
CID 79030843
N-(1-aminopropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 63733398
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004
N-(5-bromopentan-2-yl)-4-chlorobenzamide
CID 114316555
5-chloro-N-propan-2-yloxythiophene-2-carboxamide
CID 131162409
5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247076
5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide
CID 3668905
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
diethyl 2-[(5-chlorothiophene-2-carbonyl)amino]propanedioate
CID 33241351
N-(2-bromo-1-phenylethyl)-5-chlorothiophene-2-carboxamide
CID 113274761
(2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid
CID 61144475
5-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-carboxamide
CID 63941006

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide (CID 114316562) is N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide is CC(CCCBr)NC(=O)c1ccc(Cl)s1.
What is the InChIKey of N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide?
The InChIKey is SOYZQZOCHUBCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNOS/c1-7(3-2-6-11)13-10(14)8-4-5-9(12)15-8/h4-5,7H,2-3,6H2,1H3,(H,13,14).
What are the key properties of N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide?
N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide has a molecular weight of 310.64 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 114316562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).