N-[(5-benzoylthiophen-2-yl)methyl]-2-methylpropane-1-sulfonamide

C16H19NO3S2 — CID 72717647

IUPACN-[(5-benzoylthiophen-2-yl)methyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCc1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C16H19NO3S2/c1-12(2)11-22(19,20)17-10-14-8-9-15(21-14)16(18)13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3
InChIKeyQUJSUDBRAKBHKB-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.05
Rot. Bonds7

About N-[(5-benzoylthiophen-2-yl)methyl]-2-methylpropane-1-sulfonamide

N-[(5-benzoylthiophen-2-yl)methyl]-2-methylpropane-1-sulfonamide (PubChem CID 72717647) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[(5-benzoylthiophen-2-yl)methyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-benzoylthiophen-2-yl)methyl]-2-methylpropane-1-sulfonamide
PubChem CID72717647
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC NameN-[(5-benzoylthiophen-2-yl)methyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCc1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C16H19NO3S2/c1-12(2)11-22(19,20)17-10-14-8-9-15(21-14)16(18)13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3
InChIKeyQUJSUDBRAKBHKB-UHFFFAOYSA-N
XLogP3.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-benzoylthiophen-2-yl)methyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[(5-benzoylthiophen-2-yl)methyl]-2-methylpropane-1-sulfonamide (CID 72717647) is N-[(5-benzoylthiophen-2-yl)methyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[(5-benzoylthiophen-2-yl)methyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[(5-benzoylthiophen-2-yl)methyl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NCc1ccc(C(=O)c2ccccc2)s1.
What is the InChIKey of N-[(5-benzoylthiophen-2-yl)methyl]-2-methylpropane-1-sulfonamide?
The InChIKey is QUJSUDBRAKBHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-12(2)11-22(19,20)17-10-14-8-9-15(21-14)16(18)13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of N-[(5-benzoylthiophen-2-yl)methyl]-2-methylpropane-1-sulfonamide?
N-[(5-benzoylthiophen-2-yl)methyl]-2-methylpropane-1-sulfonamide has a molecular weight of 337.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzoylthiophen-2-yl)methyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 72717647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).