3-(5-bromothiophen-2-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide

C13H14BrNO4S2 — CID 3242257

IUPAC3-(5-bromothiophen-2-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Br)s2)o1
InChIInChI=1S/C13H14BrNO4S2/c1-9-2-3-10(19-9)8-15-12(16)6-7-21(17,18)13-5-4-11(14)20-13/h2-5H,6-8H2,1H3,(H,15,16)
InChIKeyBWCYERUVGVLUSU-UHFFFAOYSA-N
MW392.30 g/mol
LogP2.89
Rot. Bonds6

About 3-(5-bromothiophen-2-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide

3-(5-bromothiophen-2-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 3242257) has the molecular formula C13H14BrNO4S2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID3242257
Molecular FormulaC13H14BrNO4S2
Molecular Weight392.30 g/mol
Exact Mass390.95
IUPAC Name3-(5-bromothiophen-2-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Br)s2)o1
InChIInChI=1S/C13H14BrNO4S2/c1-9-2-3-10(19-9)8-15-12(16)6-7-21(17,18)13-5-4-11(14)20-13/h2-5H,6-8H2,1H3,(H,15,16)
InChIKeyBWCYERUVGVLUSU-UHFFFAOYSA-N
XLogP2.89
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 3242257) is 3-(5-bromothiophen-2-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Br)s2)o1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is BWCYERUVGVLUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO4S2/c1-9-2-3-10(19-9)8-15-12(16)6-7-21(17,18)13-5-4-11(14)20-13/h2-5H,6-8H2,1H3,(H,15,16).
What are the key properties of 3-(5-bromothiophen-2-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
3-(5-bromothiophen-2-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 392.30 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 3242257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).