5-bromo-N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)furan-2-carboxamide

C15H11Br2NO4S — CID 3237641

IUPAC5-bromo-N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)furan-2-carboxamide
SMILESO=C(c1ccc(Br)o1)N(c1ccc(Br)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C15H11Br2NO4S/c16-10-1-3-11(4-2-10)18(12-7-8-23(20,21)9-12)15(19)13-5-6-14(17)22-13/h1-8,12H,9H2
InChIKeyUAYWPFBEKGVVLI-UHFFFAOYSA-N
MW461.13 g/mol
LogP3.76
Rot. Bonds3

About 5-bromo-N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)furan-2-carboxamide

5-bromo-N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)furan-2-carboxamide (PubChem CID 3237641) has the molecular formula C15H11Br2NO4S and a molecular weight of 461.13 g/mol. Its IUPAC name is 5-bromo-N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)furan-2-carboxamide
PubChem CID3237641
Molecular FormulaC15H11Br2NO4S
Molecular Weight461.13 g/mol
Exact Mass458.88
IUPAC Name5-bromo-N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)furan-2-carboxamide
SMILESO=C(c1ccc(Br)o1)N(c1ccc(Br)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C15H11Br2NO4S/c16-10-1-3-11(4-2-10)18(12-7-8-23(20,21)9-12)15(19)13-5-6-14(17)22-13/h1-8,12H,9H2
InChIKeyUAYWPFBEKGVVLI-UHFFFAOYSA-N
XLogP3.76
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.13
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)furan-2-carboxamide (CID 3237641) is 5-bromo-N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)furan-2-carboxamide is O=C(c1ccc(Br)o1)N(c1ccc(Br)cc1)C1C=CS(=O)(=O)C1.
What is the InChIKey of 5-bromo-N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)furan-2-carboxamide?
The InChIKey is UAYWPFBEKGVVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO4S/c16-10-1-3-11(4-2-10)18(12-7-8-23(20,21)9-12)15(19)13-5-6-14(17)22-13/h1-8,12H,9H2.
What are the key properties of 5-bromo-N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)furan-2-carboxamide?
5-bromo-N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)furan-2-carboxamide has a molecular weight of 461.13 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)furan-2-carboxamide is sourced from PubChem (CID 3237641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).