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

C11H8BrNO3S2 — CID 7166879

IUPACmethyl 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H8BrNO3S2/c1-16-11(15)6-4-5-17-10(6)13-9(14)7-2-3-8(12)18-7/h2-5H,1H3,(H,13,14)
InChIKeyGHOKTNQZRJKYAL-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.61
Rot. Bonds3

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

methyl 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 7166879) has the molecular formula C11H8BrNO3S2 and a molecular weight of 346.23 g/mol. Its IUPAC name is methyl 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxylate
PubChem CID7166879
Molecular FormulaC11H8BrNO3S2
Molecular Weight346.23 g/mol
Exact Mass344.91
IUPAC Namemethyl 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H8BrNO3S2/c1-16-11(15)6-4-5-17-10(6)13-9(14)7-2-3-8(12)18-7/h2-5H,1H3,(H,13,14)
InChIKeyGHOKTNQZRJKYAL-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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Related Compounds

2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxamide
CID 6710572
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577
ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167142
methyl 2-[(5-bromothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1246977
methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate
CID 4053233
methyl 2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate
CID 110471808
methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate
CID 7166897
methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate
CID 4293499
methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate
CID 7166904
methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate
CID 167763040
methyl 2-[(5-bromothiophene-2-carbonyl)amino]-4-(2,4-dichlorophenyl)thiophene-3-carboxylate
CID 2167835
methyl 3-[(5-bromothiophene-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate
CID 5018015

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxylate (CID 7166879) is methyl 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)c1ccc(Br)s1.
What is the InChIKey of methyl 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is GHOKTNQZRJKYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3S2/c1-16-11(15)6-4-5-17-10(6)13-9(14)7-2-3-8(12)18-7/h2-5H,1H3,(H,13,14).
What are the key properties of methyl 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxylate?
methyl 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-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 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 7166879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).