3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide

C15H22N2O3S — CID 697595

IUPAC3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
SMILESCC(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12(2)11-15(18)16-13-5-7-14(8-6-13)21(19,20)17-9-3-4-10-17/h5-8,12H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyZCUIMLFZDBDVEE-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.46
Rot. Bonds5

About 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide

3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide (PubChem CID 697595) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
PubChem CID697595
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
SMILESCC(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12(2)11-15(18)16-13-5-7-14(8-6-13)21(19,20)17-9-3-4-10-17/h5-8,12H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyZCUIMLFZDBDVEE-UHFFFAOYSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide (CID 697595) is 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide is CC(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is ZCUIMLFZDBDVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12(2)11-15(18)16-13-5-7-14(8-6-13)21(19,20)17-9-3-4-10-17/h5-8,12H,3-4,9-11H2,1-2H3,(H,16,18).
What are the key properties of 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide?
3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide has a molecular weight of 310.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 697595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).