methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate

C14H11BrClNO3S — CID 102610456

IUPACmethyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H11BrClNO3S/c1-7-6-21-12(14(19)20-2)11(7)17-13(18)9-4-3-8(16)5-10(9)15/h3-6H,1-2H3,(H,17,18)
InChIKeyOKLVPEWDVKKFLA-UHFFFAOYSA-N
MW388.67 g/mol
LogP4.51
Rot. Bonds3

About methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate

methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate (PubChem CID 102610456) has the molecular formula C14H11BrClNO3S and a molecular weight of 388.67 g/mol. Its IUPAC name is methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate
PubChem CID102610456
Molecular FormulaC14H11BrClNO3S
Molecular Weight388.67 g/mol
Exact Mass386.93
IUPAC Namemethyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H11BrClNO3S/c1-7-6-21-12(14(19)20-2)11(7)17-13(18)9-4-3-8(16)5-10(9)15/h3-6H,1-2H3,(H,17,18)
InChIKeyOKLVPEWDVKKFLA-UHFFFAOYSA-N
XLogP4.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.67
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate with MolForge

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Related Compounds

methyl 3-[(4-chloro-2-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 102610428
methyl 3-[(2-bromo-4-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915762
methyl 3-[(2-amino-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114914491
methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915817
methyl 3-[(4-bromo-2-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114916359
methyl 3-[(2-amino-4-bromobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915566
3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914998
methyl 3-[(3-chloro-5-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114916201
methyl 3-[(4-bromobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915742
3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914774
methyl 3-[(4-chlorophenyl)carbamoylamino]-4-methylthiophene-2-carboxylate
CID 56763731
methyl 3-[(2-fluoro-3-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915416

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate (CID 102610456) is methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1NC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate?
The InChIKey is OKLVPEWDVKKFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO3S/c1-7-6-21-12(14(19)20-2)11(7)17-13(18)9-4-3-8(16)5-10(9)15/h3-6H,1-2H3,(H,17,18).
What are the key properties of methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate?
methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate has a molecular weight of 388.67 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 102610456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).