methyl 3-[(5-bromothiophene-2-carbonyl)amino]thiophene-2-carboxylate

C11H8BrNO3S2 — CID 1246013

IUPACmethyl 3-[(5-bromothiophene-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H8BrNO3S2/c1-16-11(15)9-6(4-5-17-9)13-10(14)7-2-3-8(12)18-7/h2-5H,1H3,(H,13,14)
InChIKeyLUQHYSXMPGKDPT-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.61
Rot. Bonds3

About methyl 3-[(5-bromothiophene-2-carbonyl)amino]thiophene-2-carboxylate

methyl 3-[(5-bromothiophene-2-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 1246013) has the molecular formula C11H8BrNO3S2 and a molecular weight of 346.23 g/mol. Its IUPAC name is methyl 3-[(5-bromothiophene-2-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-bromothiophene-2-carbonyl)amino]thiophene-2-carboxylate
PubChem CID1246013
Molecular FormulaC11H8BrNO3S2
Molecular Weight346.23 g/mol
Exact Mass344.91
IUPAC Namemethyl 3-[(5-bromothiophene-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H8BrNO3S2/c1-16-11(15)9-6(4-5-17-9)13-10(14)7-2-3-8(12)18-7/h2-5H,1H3,(H,13,14)
InChIKeyLUQHYSXMPGKDPT-UHFFFAOYSA-N
XLogP3.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-bromothiophene-2-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(5-bromothiophene-2-carbonyl)amino]thiophene-2-carboxylate (CID 1246013) is methyl 3-[(5-bromothiophene-2-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-bromothiophene-2-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(5-bromothiophene-2-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1ccc(Br)s1.
What is the InChIKey of methyl 3-[(5-bromothiophene-2-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is LUQHYSXMPGKDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3S2/c1-16-11(15)9-6(4-5-17-9)13-10(14)7-2-3-8(12)18-7/h2-5H,1H3,(H,13,14).
What are the key properties of methyl 3-[(5-bromothiophene-2-carbonyl)amino]thiophene-2-carboxylate?
methyl 3-[(5-bromothiophene-2-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 346.23 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-bromothiophene-2-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 1246013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).