4-bromo-N-[1-(bromomethyl)cyclobutyl]thiophene-3-carboxamide

C10H11Br2NOS — CID 164647494

IUPAC4-bromo-N-[1-(bromomethyl)cyclobutyl]thiophene-3-carboxamide
SMILESO=C(NC1(CBr)CCC1)c1cscc1Br
InChIInChI=1S/C10H11Br2NOS/c11-6-10(2-1-3-10)13-9(14)7-4-15-5-8(7)12/h4-5H,1-3,6H2,(H,13,14)
InChIKeyPYWITSQFTFNEGR-UHFFFAOYSA-N
MW353.08 g/mol
LogP3.56
Rot. Bonds3

About 4-bromo-N-[1-(bromomethyl)cyclobutyl]thiophene-3-carboxamide

4-bromo-N-[1-(bromomethyl)cyclobutyl]thiophene-3-carboxamide (PubChem CID 164647494) has the molecular formula C10H11Br2NOS and a molecular weight of 353.08 g/mol. Its IUPAC name is 4-bromo-N-[1-(bromomethyl)cyclobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-(bromomethyl)cyclobutyl]thiophene-3-carboxamide
PubChem CID164647494
Molecular FormulaC10H11Br2NOS
Molecular Weight353.08 g/mol
Exact Mass350.89
IUPAC Name4-bromo-N-[1-(bromomethyl)cyclobutyl]thiophene-3-carboxamide
SMILESO=C(NC1(CBr)CCC1)c1cscc1Br
InChIInChI=1S/C10H11Br2NOS/c11-6-10(2-1-3-10)13-9(14)7-4-15-5-8(7)12/h4-5H,1-3,6H2,(H,13,14)
InChIKeyPYWITSQFTFNEGR-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.08
LogP ≤ 53.56
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

2,4-dibromo-N-[1-(bromomethyl)cyclobutyl]benzamide
CID 107941451
2,5-dibromo-N-[1-(bromomethyl)cyclopropyl]thiophene-3-carboxamide
CID 107966316
N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide
CID 113275709
3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 113274839
N-[1-(bromomethyl)cyclobutyl]-2-fluoro-4-hydroxybenzamide
CID 107677747
3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide
CID 114311405
3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
CID 107975111
N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide
CID 114311351
2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 79845790
N-[1-(bromomethyl)cyclohexyl]-1-benzothiophene-3-carboxamide
CID 114314247
4-bromo-N-[1-(bromomethyl)cyclohexyl]-2-chlorobenzamide
CID 113275517
N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide
CID 114311325

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(bromomethyl)cyclobutyl]thiophene-3-carboxamide?
The IUPAC name of 4-bromo-N-[1-(bromomethyl)cyclobutyl]thiophene-3-carboxamide (CID 164647494) is 4-bromo-N-[1-(bromomethyl)cyclobutyl]thiophene-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-(bromomethyl)cyclobutyl]thiophene-3-carboxamide?
The canonical SMILES for 4-bromo-N-[1-(bromomethyl)cyclobutyl]thiophene-3-carboxamide is O=C(NC1(CBr)CCC1)c1cscc1Br.
What is the InChIKey of 4-bromo-N-[1-(bromomethyl)cyclobutyl]thiophene-3-carboxamide?
The InChIKey is PYWITSQFTFNEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NOS/c11-6-10(2-1-3-10)13-9(14)7-4-15-5-8(7)12/h4-5H,1-3,6H2,(H,13,14).
What are the key properties of 4-bromo-N-[1-(bromomethyl)cyclobutyl]thiophene-3-carboxamide?
4-bromo-N-[1-(bromomethyl)cyclobutyl]thiophene-3-carboxamide has a molecular weight of 353.08 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(bromomethyl)cyclobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 164647494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).