2-methyl-N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]phenyl]sulfonylpropanamide

C17H24N2O4S — CID 167519651

IUPAC2-methyl-N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]phenyl]sulfonylpropanamide
SMILESCC(C)C(=O)NS(=O)(=O)c1ccc(C2CN(C(=O)C(C)C)C2)cc1
InChIInChI=1S/C17H24N2O4S/c1-11(2)16(20)18-24(22,23)15-7-5-13(6-8-15)14-9-19(10-14)17(21)12(3)4/h5-8,11-12,14H,9-10H2,1-4H3,(H,18,20)
InChIKeyCLPBHVIHSKLZDY-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.73
Rot. Bonds5

About 2-methyl-N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]phenyl]sulfonylpropanamide

2-methyl-N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]phenyl]sulfonylpropanamide (PubChem CID 167519651) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-methyl-N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]phenyl]sulfonylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]phenyl]sulfonylpropanamide
PubChem CID167519651
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name2-methyl-N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]phenyl]sulfonylpropanamide
SMILESCC(C)C(=O)NS(=O)(=O)c1ccc(C2CN(C(=O)C(C)C)C2)cc1
InChIInChI=1S/C17H24N2O4S/c1-11(2)16(20)18-24(22,23)15-7-5-13(6-8-15)14-9-19(10-14)17(21)12(3)4/h5-8,11-12,14H,9-10H2,1-4H3,(H,18,20)
InChIKeyCLPBHVIHSKLZDY-UHFFFAOYSA-N
XLogP1.73
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-methyl-1-(3-phenylazepan-1-yl)propan-1-one
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N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
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CID 27661594
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CID 8841087
methyl 4-[1-(2-methylpropanoyl)piperidin-4-yl]benzoate
CID 170758157
N-[3-ethenyl-4-[4-(2-methylpropanoyl)piperidin-1-yl]phenyl]sulfonyl-2-methylpropanamide
CID 167520187
N-(4-cyclohexylphenyl)sulfonyl-5-(methoxymethyl)furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]phenyl]sulfonylpropanamide?
The IUPAC name of 2-methyl-N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]phenyl]sulfonylpropanamide (CID 167519651) is 2-methyl-N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]phenyl]sulfonylpropanamide.
What is the SMILES notation for 2-methyl-N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]phenyl]sulfonylpropanamide?
The canonical SMILES for 2-methyl-N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]phenyl]sulfonylpropanamide is CC(C)C(=O)NS(=O)(=O)c1ccc(C2CN(C(=O)C(C)C)C2)cc1.
What is the InChIKey of 2-methyl-N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]phenyl]sulfonylpropanamide?
The InChIKey is CLPBHVIHSKLZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-11(2)16(20)18-24(22,23)15-7-5-13(6-8-15)14-9-19(10-14)17(21)12(3)4/h5-8,11-12,14H,9-10H2,1-4H3,(H,18,20).
What are the key properties of 2-methyl-N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]phenyl]sulfonylpropanamide?
2-methyl-N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]phenyl]sulfonylpropanamide has a molecular weight of 352.46 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]phenyl]sulfonylpropanamide is sourced from PubChem (CID 167519651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).