N-(3-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide

C12H12BrNO3S — CID 2976110

IUPACN-(3-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
SMILESCC(=O)N(c1cccc(Br)c1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C12H12BrNO3S/c1-9(15)14(11-4-2-3-10(13)7-11)12-5-6-18(16,17)8-12/h2-7,12H,8H2,1H3
InChIKeyHUBBWLKKJRRKRI-UHFFFAOYSA-N
MW330.20 g/mol
LogP2.11
Rot. Bonds2

About N-(3-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide

N-(3-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide (PubChem CID 2976110) has the molecular formula C12H12BrNO3S and a molecular weight of 330.20 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
PubChem CID2976110
Molecular FormulaC12H12BrNO3S
Molecular Weight330.20 g/mol
Exact Mass328.97
IUPAC NameN-(3-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
SMILESCC(=O)N(c1cccc(Br)c1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C12H12BrNO3S/c1-9(15)14(11-4-2-3-10(13)7-11)12-5-6-18(16,17)8-12/h2-7,12H,8H2,1H3
InChIKeyHUBBWLKKJRRKRI-UHFFFAOYSA-N
XLogP2.11
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The IUPAC name of N-(3-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide (CID 2976110) is N-(3-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide is CC(=O)N(c1cccc(Br)c1)C1C=CS(=O)(=O)C1.
What is the InChIKey of N-(3-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The InChIKey is HUBBWLKKJRRKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3S/c1-9(15)14(11-4-2-3-10(13)7-11)12-5-6-18(16,17)8-12/h2-7,12H,8H2,1H3.
What are the key properties of N-(3-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
N-(3-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide has a molecular weight of 330.20 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide is sourced from PubChem (CID 2976110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).