5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide

C9H11BrClNO2S — CID 114297571

IUPAC5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCOCCCl)c1ccc(Br)s1
InChIInChI=1S/C9H11BrClNO2S/c10-8-2-1-7(15-8)9(13)12-4-6-14-5-3-11/h1-2H,3-6H2,(H,12,13)
InChIKeyDLLYGAQNLSTWOB-UHFFFAOYSA-N
MW312.62 g/mol
LogP2.50
Rot. Bonds6

About 5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide

5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide (PubChem CID 114297571) has the molecular formula C9H11BrClNO2S and a molecular weight of 312.62 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide
PubChem CID114297571
Molecular FormulaC9H11BrClNO2S
Molecular Weight312.62 g/mol
Exact Mass310.94
IUPAC Name5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCOCCCl)c1ccc(Br)s1
InChIInChI=1S/C9H11BrClNO2S/c10-8-2-1-7(15-8)9(13)12-4-6-14-5-3-11/h1-2H,3-6H2,(H,12,13)
InChIKeyDLLYGAQNLSTWOB-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide
CID 55889774
5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119508438
N-[2-(3-aminophenoxy)ethyl]-5-bromothiophene-2-carboxamide
CID 54915199
N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide
CID 126723293
5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821937
5-bromo-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
CID 115627914
5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide
CID 47098978
methyl 6-[(5-bromothiophene-2-carbonyl)amino]hexanoate
CID 43404595
5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide
CID 114298739
5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]thiophene-2-carboxamide
CID 55903273
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780
5-bromo-N-hex-5-ynylthiophene-2-carboxamide
CID 103757974

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide (CID 114297571) is 5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide is O=C(NCCOCCCl)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide?
The InChIKey is DLLYGAQNLSTWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2S/c10-8-2-1-7(15-8)9(13)12-4-6-14-5-3-11/h1-2H,3-6H2,(H,12,13).
What are the key properties of 5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide?
5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide has a molecular weight of 312.62 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 114297571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).