N-(3-acetylphenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide

C15H14BrNO4S2 — CID 15988718

IUPACN-(3-acetylphenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide
SMILESCC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C15H14BrNO4S2/c1-10(18)11-3-2-4-12(9-11)17-14(19)7-8-23(20,21)15-6-5-13(16)22-15/h2-6,9H,7-8H2,1H3,(H,17,19)
InChIKeyQPBDMHJYJAWZSU-UHFFFAOYSA-N
MW416.32 g/mol
LogP3.52
Rot. Bonds6

About N-(3-acetylphenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide

N-(3-acetylphenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide (PubChem CID 15988718) has the molecular formula C15H14BrNO4S2 and a molecular weight of 416.32 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide
PubChem CID15988718
Molecular FormulaC15H14BrNO4S2
Molecular Weight416.32 g/mol
Exact Mass414.95
IUPAC NameN-(3-acetylphenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide
SMILESCC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C15H14BrNO4S2/c1-10(18)11-3-2-4-12(9-11)17-14(19)7-8-23(20,21)15-6-5-13(16)22-15/h2-6,9H,7-8H2,1H3,(H,17,19)
InChIKeyQPBDMHJYJAWZSU-UHFFFAOYSA-N
XLogP3.52
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide (CID 15988718) is N-(3-acetylphenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide is CC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide?
The InChIKey is QPBDMHJYJAWZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4S2/c1-10(18)11-3-2-4-12(9-11)17-14(19)7-8-23(20,21)15-6-5-13(16)22-15/h2-6,9H,7-8H2,1H3,(H,17,19).
What are the key properties of N-(3-acetylphenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide?
N-(3-acetylphenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide has a molecular weight of 416.32 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide is sourced from PubChem (CID 15988718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).