4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide

C10H9Br2NOS — CID 104581157

IUPAC4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide
SMILESCC#CCCNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H9Br2NOS/c1-2-3-4-5-13-10(14)8-6-7(11)9(12)15-8/h6H,4-5H2,1H3,(H,13,14)
InChIKeyOMLZVXSLLYOXTF-UHFFFAOYSA-N
MW351.06 g/mol
LogP3.42
Rot. Bonds3

About 4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide

4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide (PubChem CID 104581157) has the molecular formula C10H9Br2NOS and a molecular weight of 351.06 g/mol. Its IUPAC name is 4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide
PubChem CID104581157
Molecular FormulaC10H9Br2NOS
Molecular Weight351.06 g/mol
Exact Mass348.88
IUPAC Name4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide
SMILESCC#CCCNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H9Br2NOS/c1-2-3-4-5-13-10(14)8-6-7(11)9(12)15-8/h6H,4-5H2,1H3,(H,13,14)
InChIKeyOMLZVXSLLYOXTF-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.06
LogP ≤ 53.42
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'}

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Related Compounds

4,5-dibromo-N-butylthiophene-2-carboxamide
CID 29203844
4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide
CID 38983446
4,5-dibromo-N-decylthiophene-2-carboxamide
CID 80536454
N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide
CID 80537023
4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide
CID 82994332
5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid
CID 62033410
4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide
CID 79036871
4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide
CID 114309271
4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 19205118
4-bromo-N-pent-3-ynyl-1,2-thiazole-3-carboxamide
CID 164656619
N-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide
CID 80538796
4,5-dibromo-N-(3-butoxypropyl)thiophene-2-carboxamide
CID 27682675

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide (CID 104581157) is 4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide is CC#CCCNC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide?
The InChIKey is OMLZVXSLLYOXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NOS/c1-2-3-4-5-13-10(14)8-6-7(11)9(12)15-8/h6H,4-5H2,1H3,(H,13,14).
What are the key properties of 4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide?
4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide has a molecular weight of 351.06 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide is sourced from PubChem (CID 104581157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).