5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide

C10H11BrClNOS — CID 107966074

IUPAC5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide
SMILESO=C(NCC(Cl)C1CC1)c1csc(Br)c1
InChIInChI=1S/C10H11BrClNOS/c11-9-3-7(5-15-9)10(14)13-4-8(12)6-1-2-6/h3,5-6,8H,1-2,4H2,(H,13,14)
InChIKeySYUBDKCSSQFFMF-UHFFFAOYSA-N
MW308.63 g/mol
LogP3.26
Rot. Bonds4

About 5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide

5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide (PubChem CID 107966074) has the molecular formula C10H11BrClNOS and a molecular weight of 308.63 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide
PubChem CID107966074
Molecular FormulaC10H11BrClNOS
Molecular Weight308.63 g/mol
Exact Mass306.94
IUPAC Name5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide
SMILESO=C(NCC(Cl)C1CC1)c1csc(Br)c1
InChIInChI=1S/C10H11BrClNOS/c11-9-3-7(5-15-9)10(14)13-4-8(12)6-1-2-6/h3,5-6,8H,1-2,4H2,(H,13,14)
InChIKeySYUBDKCSSQFFMF-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.63
LogP ≤ 53.26
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

3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide
CID 114305198
5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
(2S)-3-[(5-bromothiophene-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833350
N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide
CID 114304978
5-bromo-N-(cyclobutylmethyl)thiophene-3-carboxamide
CID 33383602
3-[(5-bromothiophene-3-carbonyl)amino]-3-cyclopropylpropanoic acid
CID 81361728
5-bromo-N-[2-(cyclopropylamino)ethyl]thiophene-3-carboxamide
CID 103806386
5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide
CID 78965929
5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide
CID 63525997
4-bromo-N-(2-chloro-2-cyclopropylethyl)-2,6-difluorobenzamide
CID 114305229
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]thiophene-3-carboxamide
CID 43424485
5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide
CID 107963728

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide (CID 107966074) is 5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide is O=C(NCC(Cl)C1CC1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide?
The InChIKey is SYUBDKCSSQFFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNOS/c11-9-3-7(5-15-9)10(14)13-4-8(12)6-1-2-6/h3,5-6,8H,1-2,4H2,(H,13,14).
What are the key properties of 5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide?
5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide has a molecular weight of 308.63 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide is sourced from PubChem (CID 107966074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).