5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide

C16H18Br2N2O2S2 — CID 4989136

IUPAC5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide
SMILESO=C(NCCCCCCNC(=O)c1ccc(Br)s1)c1ccc(Br)s1
InChIInChI=1S/C16H18Br2N2O2S2/c17-13-7-5-11(23-13)15(21)19-9-3-1-2-4-10-20-16(22)12-6-8-14(18)24-12/h5-8H,1-4,9-10H2,(H,19,21)(H,20,22)
InChIKeyRBEXDJOVPFVOLD-UHFFFAOYSA-N
MW494.27 g/mol
LogP5.05
Rot. Bonds9

About 5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide

5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide (PubChem CID 4989136) has the molecular formula C16H18Br2N2O2S2 and a molecular weight of 494.27 g/mol. Its IUPAC name is 5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide
PubChem CID4989136
Molecular FormulaC16H18Br2N2O2S2
Molecular Weight494.27 g/mol
Exact Mass491.92
IUPAC Name5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide
SMILESO=C(NCCCCCCNC(=O)c1ccc(Br)s1)c1ccc(Br)s1
InChIInChI=1S/C16H18Br2N2O2S2/c17-13-7-5-11(23-13)15(21)19-9-3-1-2-4-10-20-16(22)12-6-8-14(18)24-12/h5-8H,1-4,9-10H2,(H,19,21)(H,20,22)
InChIKeyRBEXDJOVPFVOLD-UHFFFAOYSA-N
XLogP5.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.27
LogP ≤ 55.05
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
5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide
CID 2309203
1-(5-Bromothiophen-2-yl)-3-[2-[2-[[3-(5-bromothiophen-2-yl)-3-oxopropyl]amino]ethyldisulfanyl]ethylamino]propan-1-one
CID 52921176
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-cyclopentylthiophene-2-carboxamide
CID 1245660
1-[(5-Bromo-2-thienyl)carbonyl]pyrrolidine
CID 1246561
5-bromo-N-[4-[3-[(5-bromothiophene-2-carbonyl)amino]propylamino]butyl]thiophene-2-carboxamide
CID 145951692
5-methyl-N-[4-[3-[(5-methylthiophene-2-carbonyl)amino]propylamino]butyl]thiophene-2-carboxamide
CID 145954988
N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43062602

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide (CID 4989136) is 5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide is O=C(NCCCCCCNC(=O)c1ccc(Br)s1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide?
The InChIKey is RBEXDJOVPFVOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2N2O2S2/c17-13-7-5-11(23-13)15(21)19-9-3-1-2-4-10-20-16(22)12-6-8-14(18)24-12/h5-8H,1-4,9-10H2,(H,19,21)(H,20,22).
What are the key properties of 5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide?
5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide has a molecular weight of 494.27 g/mol, XLogP of 5.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide is sourced from PubChem (CID 4989136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).