3-(5-bromothiophen-2-yl)sulfonyl-N-(2,6-diethylphenyl)propanamide

C17H20BrNO3S2 — CID 15988720

IUPAC3-(5-bromothiophen-2-yl)sulfonyl-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C17H20BrNO3S2/c1-3-12-6-5-7-13(4-2)17(12)19-15(20)10-11-24(21,22)16-9-8-14(18)23-16/h5-9H,3-4,10-11H2,1-2H3,(H,19,20)
InChIKeyLSUFOGRECQSHSD-UHFFFAOYSA-N
MW430.39 g/mol
LogP4.44
Rot. Bonds7

About 3-(5-bromothiophen-2-yl)sulfonyl-N-(2,6-diethylphenyl)propanamide

3-(5-bromothiophen-2-yl)sulfonyl-N-(2,6-diethylphenyl)propanamide (PubChem CID 15988720) has the molecular formula C17H20BrNO3S2 and a molecular weight of 430.39 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)sulfonyl-N-(2,6-diethylphenyl)propanamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)sulfonyl-N-(2,6-diethylphenyl)propanamide
PubChem CID15988720
Molecular FormulaC17H20BrNO3S2
Molecular Weight430.39 g/mol
Exact Mass429.01
IUPAC Name3-(5-bromothiophen-2-yl)sulfonyl-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C17H20BrNO3S2/c1-3-12-6-5-7-13(4-2)17(12)19-15(20)10-11-24(21,22)16-9-8-14(18)23-16/h5-9H,3-4,10-11H2,1-2H3,(H,19,20)
InChIKeyLSUFOGRECQSHSD-UHFFFAOYSA-N
XLogP4.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2,6-diethylphenyl)propanamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2,6-diethylphenyl)propanamide (CID 15988720) is 3-(5-bromothiophen-2-yl)sulfonyl-N-(2,6-diethylphenyl)propanamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)sulfonyl-N-(2,6-diethylphenyl)propanamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)sulfonyl-N-(2,6-diethylphenyl)propanamide is CCc1cccc(CC)c1NC(=O)CCS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2,6-diethylphenyl)propanamide?
The InChIKey is LSUFOGRECQSHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO3S2/c1-3-12-6-5-7-13(4-2)17(12)19-15(20)10-11-24(21,22)16-9-8-14(18)23-16/h5-9H,3-4,10-11H2,1-2H3,(H,19,20).
What are the key properties of 3-(5-bromothiophen-2-yl)sulfonyl-N-(2,6-diethylphenyl)propanamide?
3-(5-bromothiophen-2-yl)sulfonyl-N-(2,6-diethylphenyl)propanamide has a molecular weight of 430.39 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)sulfonyl-N-(2,6-diethylphenyl)propanamide is sourced from PubChem (CID 15988720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).