4,5-dibromo-N-decylthiophene-2-carboxamide

C15H23Br2NOS — CID 80536454

IUPAC4,5-dibromo-N-decylthiophene-2-carboxamide
SMILESCCCCCCCCCCNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H23Br2NOS/c1-2-3-4-5-6-7-8-9-10-18-15(19)13-11-12(16)14(17)20-13/h11H,2-10H2,1H3,(H,18,19)
InChIKeyJLWKZLFODNLQTC-UHFFFAOYSA-N
MW425.23 g/mol
LogP6.14
Rot. Bonds10

About 4,5-dibromo-N-decylthiophene-2-carboxamide

4,5-dibromo-N-decylthiophene-2-carboxamide (PubChem CID 80536454) has the molecular formula C15H23Br2NOS and a molecular weight of 425.23 g/mol. Its IUPAC name is 4,5-dibromo-N-decylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-decylthiophene-2-carboxamide
PubChem CID80536454
Molecular FormulaC15H23Br2NOS
Molecular Weight425.23 g/mol
Exact Mass422.99
IUPAC Name4,5-dibromo-N-decylthiophene-2-carboxamide
SMILESCCCCCCCCCCNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H23Br2NOS/c1-2-3-4-5-6-7-8-9-10-18-15(19)13-11-12(16)14(17)20-13/h11H,2-10H2,1H3,(H,18,19)
InChIKeyJLWKZLFODNLQTC-UHFFFAOYSA-N
XLogP6.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.23
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,5-dibromo-N-decylthiophene-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

4,5-dibromo-N-butylthiophene-2-carboxamide
CID 29203844
4,5-dibromo-N-(3-butoxypropyl)thiophene-2-carboxamide
CID 27682675
5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid
CID 62033410
N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide
CID 80537023
2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide
CID 177491434
4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide
CID 38983446
1-(4,5-dibromothiophen-2-yl)decan-1-one
CID 80532833
4,5-dichloro-N-pentylthiophene-2-carboxamide
CID 110190675
4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide
CID 82994332
4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide
CID 79036871
4,5-dibromo-N-[2-(dimethylamino)propyl]thiophene-2-carboxamide
CID 112726725
4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 19205118

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-decylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-decylthiophene-2-carboxamide (CID 80536454) is 4,5-dibromo-N-decylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-decylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-decylthiophene-2-carboxamide is CCCCCCCCCCNC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-decylthiophene-2-carboxamide?
The InChIKey is JLWKZLFODNLQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Br2NOS/c1-2-3-4-5-6-7-8-9-10-18-15(19)13-11-12(16)14(17)20-13/h11H,2-10H2,1H3,(H,18,19).
What are the key properties of 4,5-dibromo-N-decylthiophene-2-carboxamide?
4,5-dibromo-N-decylthiophene-2-carboxamide has a molecular weight of 425.23 g/mol, XLogP of 6.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-decylthiophene-2-carboxamide is sourced from PubChem (CID 80536454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).