5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide

C10H12BrNO4S — CID 2337336

IUPAC5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H12BrNO4S/c1-12(7-4-5-17(14,15)6-7)10(13)8-2-3-9(11)16-8/h2-3,7H,4-6H2,1H3/t7-/m0/s1
InChIKeyFXLWNZQJXWVULQ-ZETCQYMHSA-N
MW322.18 g/mol
LogP1.30
Rot. Bonds2

About 5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide

5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide (PubChem CID 2337336) has the molecular formula C10H12BrNO4S and a molecular weight of 322.18 g/mol. Its IUPAC name is 5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide
PubChem CID2337336
Molecular FormulaC10H12BrNO4S
Molecular Weight322.18 g/mol
Exact Mass320.97
IUPAC Name5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H12BrNO4S/c1-12(7-4-5-17(14,15)6-7)10(13)8-2-3-9(11)16-8/h2-3,7H,4-6H2,1H3/t7-/m0/s1
InChIKeyFXLWNZQJXWVULQ-ZETCQYMHSA-N
XLogP1.30
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide
CID 55028576
N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide
CID 2790131
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
5-bromo-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 43602151
2-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259715
5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-carboxamide
CID 60725134
2-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 51238248
(1,1-dioxothiolan-3-yl) 5-bromofuran-2-carboxylate
CID 3129050
3-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259724
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propylbenzamide
CID 47719707
6-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 113343275
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide (CID 2337336) is 5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide is CN(C(=O)c1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide?
The InChIKey is FXLWNZQJXWVULQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12BrNO4S/c1-12(7-4-5-17(14,15)6-7)10(13)8-2-3-9(11)16-8/h2-3,7H,4-6H2,1H3/t7-/m0/s1.
What are the key properties of 5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide?
5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide has a molecular weight of 322.18 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 2337336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).