5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

C15H13Br2N3O3S — CID 55960688

IUPAC5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)s1)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H13Br2N3O3S/c16-9-1-3-10(4-2-9)20-14(22)8-18-13(21)7-19-15(23)11-5-6-12(17)24-11/h1-6H,7-8H2,(H,18,21)(H,19,23)(H,20,22)
InChIKeyWESLZKFGCDIAGM-UHFFFAOYSA-N
MW475.16 g/mol
LogP2.76
Rot. Bonds6

About 5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 55960688) has the molecular formula C15H13Br2N3O3S and a molecular weight of 475.16 g/mol. Its IUPAC name is 5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID55960688
Molecular FormulaC15H13Br2N3O3S
Molecular Weight475.16 g/mol
Exact Mass472.90
IUPAC Name5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)s1)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H13Br2N3O3S/c16-9-1-3-10(4-2-9)20-14(22)8-18-13(21)7-19-15(23)11-5-6-12(17)24-11/h1-6H,7-8H2,(H,18,21)(H,19,23)(H,20,22)
InChIKeyWESLZKFGCDIAGM-UHFFFAOYSA-N
XLogP2.76
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.16
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821937
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CID 47051859
5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 47265799
5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 55834440
ethyl 3-[[2-[(5-bromothiophene-2-carbonyl)amino]acetyl]amino]propanoate
CID 49493293
5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55825095
2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 112996188
5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide
CID 47266709
2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996813
2-(4-bromophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 49165568
N-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide
CID 47309174
N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55959917

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 55960688) is 5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1ccc(Br)s1)NCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is WESLZKFGCDIAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2N3O3S/c16-9-1-3-10(4-2-9)20-14(22)8-18-13(21)7-19-15(23)11-5-6-12(17)24-11/h1-6H,7-8H2,(H,18,21)(H,19,23)(H,20,22).
What are the key properties of 5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 475.16 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55960688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).