5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid

C10H11Br2NO3S — CID 62033410

IUPAC5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H11Br2NO3S/c11-6-5-7(17-9(6)12)10(16)13-4-2-1-3-8(14)15/h5H,1-4H2,(H,13,16)(H,14,15)
InChIKeyHIWULFCOPYSSII-UHFFFAOYSA-N
MW385.08 g/mol
LogP3.26
Rot. Bonds6

About 5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid

5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid (PubChem CID 62033410) has the molecular formula C10H11Br2NO3S and a molecular weight of 385.08 g/mol. Its IUPAC name is 5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid
PubChem CID62033410
Molecular FormulaC10H11Br2NO3S
Molecular Weight385.08 g/mol
Exact Mass382.88
IUPAC Name5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H11Br2NO3S/c11-6-5-7(17-9(6)12)10(16)13-4-2-1-3-8(14)15/h5H,1-4H2,(H,13,16)(H,14,15)
InChIKeyHIWULFCOPYSSII-UHFFFAOYSA-N
XLogP3.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.08
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-dibromo-N-decylthiophene-2-carboxamide
CID 80536454
N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide
CID 80537023
4,5-dibromo-N-butylthiophene-2-carboxamide
CID 29203844
6-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]hexanoic acid
CID 120522496
4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 19205118
4,5-dibromo-N-(3-butoxypropyl)thiophene-2-carboxamide
CID 27682675
4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide
CID 38983446
N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 103896394
4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide
CID 79036871
7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid
CID 43092885
5-(1-benzothiophene-2-carbonylamino)pentanoic acid
CID 62033392
4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide
CID 104581157

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid (CID 62033410) is 5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid is O=C(O)CCCCNC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid?
The InChIKey is HIWULFCOPYSSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO3S/c11-6-5-7(17-9(6)12)10(16)13-4-2-1-3-8(14)15/h5H,1-4H2,(H,13,16)(H,14,15).
What are the key properties of 5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid?
5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid has a molecular weight of 385.08 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 62033410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).