5-bromo-N-hex-5-ynylthiophene-2-carboxamide

C11H12BrNOS — CID 103757974

IUPAC5-bromo-N-hex-5-ynylthiophene-2-carboxamide
SMILESC#CCCCCNC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H12BrNOS/c1-2-3-4-5-8-13-11(14)9-6-7-10(12)15-9/h1,6-7H,3-5,8H2,(H,13,14)
InChIKeyQGOZEMOISWYRCH-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.04
Rot. Bonds5

About 5-bromo-N-hex-5-ynylthiophene-2-carboxamide

5-bromo-N-hex-5-ynylthiophene-2-carboxamide (PubChem CID 103757974) has the molecular formula C11H12BrNOS and a molecular weight of 286.19 g/mol. Its IUPAC name is 5-bromo-N-hex-5-ynylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-hex-5-ynylthiophene-2-carboxamide
PubChem CID103757974
Molecular FormulaC11H12BrNOS
Molecular Weight286.19 g/mol
Exact Mass284.98
IUPAC Name5-bromo-N-hex-5-ynylthiophene-2-carboxamide
SMILESC#CCCCCNC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H12BrNOS/c1-2-3-4-5-8-13-11(14)9-6-7-10(12)15-9/h1,6-7H,3-5,8H2,(H,13,14)
InChIKeyQGOZEMOISWYRCH-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N-hex-5-ynylthiophene-2-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

5-(hex-5-ynylcarbamoyl)thiophene-2-carboxylic acid
CID 106216658
N-hex-5-ynylthiophene-2-carboxamide
CID 103758137
5-nitro-N-pent-4-ynylthiophene-2-carboxamide
CID 103709022
2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide
CID 103757999
methyl 6-[(5-bromothiophene-2-carbonyl)amino]hexanoate
CID 43404595
5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide
CID 47098978
5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 55029116
5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119508438
5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide
CID 114297571
5-bromo-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
CID 115627914
5-bromo-N-[2-[ethyl(propyl)amino]ethyl]thiophene-2-carboxamide
CID 103719320
5-amino-2-bromo-N-hex-5-ynylbenzamide
CID 114158305

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-hex-5-ynylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-hex-5-ynylthiophene-2-carboxamide (CID 103757974) is 5-bromo-N-hex-5-ynylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-hex-5-ynylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-hex-5-ynylthiophene-2-carboxamide is C#CCCCCNC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-hex-5-ynylthiophene-2-carboxamide?
The InChIKey is QGOZEMOISWYRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNOS/c1-2-3-4-5-8-13-11(14)9-6-7-10(12)15-9/h1,6-7H,3-5,8H2,(H,13,14).
What are the key properties of 5-bromo-N-hex-5-ynylthiophene-2-carboxamide?
5-bromo-N-hex-5-ynylthiophene-2-carboxamide has a molecular weight of 286.19 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-hex-5-ynylthiophene-2-carboxamide is sourced from PubChem (CID 103757974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).