ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate

C15H14BrNO3S — CID 1038105

IUPACethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO3S/c1-3-20-15(19)12-8-9(2)21-14(12)17-13(18)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyXHIUCVIGDBZMMJ-UHFFFAOYSA-N
MW368.25 g/mol
LogP4.25
Rot. Bonds4

About ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate

ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate (PubChem CID 1038105) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate
PubChem CID1038105
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Nameethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO3S/c1-3-20-15(19)12-8-9(2)21-14(12)17-13(18)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyXHIUCVIGDBZMMJ-UHFFFAOYSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60793261
ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 63616683
ethyl 2-[(5-chlorofuran-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60794401
ethyl 2-[(4-bromobenzoyl)amino]-5-[(1,3-dioxoisoindol-2-yl)methyl]thiophene-3-carboxylate
CID 110496091
ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 964645
ethyl 2-(2-bromobutanoylamino)-5-methylthiophene-3-carboxylate
CID 63617193
ethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 107518988
ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60794403
ethyl 2-[(4-methylbenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate
CID 46094798
ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 759964
ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
ethyl 2-[(4-bromobenzoyl)amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 1221975

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate (CID 1038105) is ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate?
The InChIKey is XHIUCVIGDBZMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c1-3-20-15(19)12-8-9(2)21-14(12)17-13(18)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate?
ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate has a molecular weight of 368.25 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 1038105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).