5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide

C14H14Br2N2O2S2 — CID 2309203

IUPAC5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide
SMILESO=C(NCCCCNC(=O)c1ccc(Br)s1)c1ccc(Br)s1
InChIInChI=1S/C14H14Br2N2O2S2/c15-11-5-3-9(21-11)13(19)17-7-1-2-8-18-14(20)10-4-6-12(16)22-10/h3-6H,1-2,7-8H2,(H,17,19)(H,18,20)
InChIKeyUKAAPFRAXVBCDC-UHFFFAOYSA-N
MW466.22 g/mol
LogP4.27
Rot. Bonds7

About 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide

5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide (PubChem CID 2309203) has the molecular formula C14H14Br2N2O2S2 and a molecular weight of 466.22 g/mol. Its IUPAC name is 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide
PubChem CID2309203
Molecular FormulaC14H14Br2N2O2S2
Molecular Weight466.22 g/mol
Exact Mass463.89
IUPAC Name5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide
SMILESO=C(NCCCCNC(=O)c1ccc(Br)s1)c1ccc(Br)s1
InChIInChI=1S/C14H14Br2N2O2S2/c15-11-5-3-9(21-11)13(19)17-7-1-2-8-18-14(20)10-4-6-12(16)22-10/h3-6H,1-2,7-8H2,(H,17,19)(H,18,20)
InChIKeyUKAAPFRAXVBCDC-UHFFFAOYSA-N
XLogP4.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.22
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-{4-[(2-thienylcarbonyl)amino]butyl}-2-thiophenecarboxamide
CID 1752547
N-[2-(thiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 710249
N-{3-[(2-thienylcarbonyl)amino]propyl}-2-thiophenecarboxamide
CID 1788010
N-[2,2-dimethyl-3-[[oxo(thiophen-2-yl)methyl]amino]propyl]-2-thiophenecarboxamide
CID 2171062
5-bromo-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]thiophene-2-carboxamide
CID 90644696
5-bromo-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
CID 4655359
5-Bromo-N-((tetrahydrofuran-2-yl)methyl)thiophene-2-carboxamide
CID 17191115
4,5-dibromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 17404815
5-bromo-N-cyclopentylthiophene-2-carboxamide
CID 1245660
1-[(5-Bromo-2-thienyl)carbonyl]pyrrolidine
CID 1246561
5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide
CID 4989136
5-bromo-N-[4-[3-[(5-bromothiophene-2-carbonyl)amino]propylamino]butyl]thiophene-2-carboxamide
CID 145951692

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide (CID 2309203) is 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide is O=C(NCCCCNC(=O)c1ccc(Br)s1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide?
The InChIKey is UKAAPFRAXVBCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2S2/c15-11-5-3-9(21-11)13(19)17-7-1-2-8-18-14(20)10-4-6-12(16)22-10/h3-6H,1-2,7-8H2,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide?
5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide has a molecular weight of 466.22 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide is sourced from PubChem (CID 2309203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).