3,3-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide

C16H24N2O3S — CID 697580

IUPAC3,3-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-16(2,3)12-15(19)17-13-6-8-14(9-7-13)22(20,21)18-10-4-5-11-18/h6-9H,4-5,10-12H2,1-3H3,(H,17,19)
InChIKeyDXGUMXOGWAWMLJ-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.85
Rot. Bonds4

About 3,3-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide

3,3-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide (PubChem CID 697580) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 3,3-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
PubChem CID697580
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name3,3-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-16(2,3)12-15(19)17-13-6-8-14(9-7-13)22(20,21)18-10-4-5-11-18/h6-9H,4-5,10-12H2,1-3H3,(H,17,19)
InChIKeyDXGUMXOGWAWMLJ-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide (CID 697580) is 3,3-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide is CC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 3,3-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is DXGUMXOGWAWMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-16(2,3)12-15(19)17-13-6-8-14(9-7-13)22(20,21)18-10-4-5-11-18/h6-9H,4-5,10-12H2,1-3H3,(H,17,19).
What are the key properties of 3,3-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide?
3,3-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide has a molecular weight of 324.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 697580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).