2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pentanamide

C16H24N2O3S — CID 2929394

IUPAC2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pentanamide
SMILESCCCC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-3-6-13(2)16(19)17-14-7-9-15(10-8-14)22(20,21)18-11-4-5-12-18/h7-10,13H,3-6,11-12H2,1-2H3,(H,17,19)
InChIKeyPNDZTDZWHSSHEH-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.85
Rot. Bonds6

About 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pentanamide

2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pentanamide (PubChem CID 2929394) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pentanamide.

Molecular Properties

Compound Name2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pentanamide
PubChem CID2929394
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pentanamide
SMILESCCCC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-3-6-13(2)16(19)17-14-7-9-15(10-8-14)22(20,21)18-11-4-5-12-18/h7-10,13H,3-6,11-12H2,1-2H3,(H,17,19)
InChIKeyPNDZTDZWHSSHEH-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

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2,2-dimethyl-N-(4-sulfamoylphenyl)propanamide
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Acetamide, N-[4-[(dimethylamino)sulfonyl]phenyl]-
CID 97278
N-(4-sulfamoylphenyl)hexanamide
CID 245904
Propanamide, N-[4-(aminosulfonyl)phenyl]-2-methyl-
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N-(4-sulfamoylphenyl)butanamide
CID 3510137
N-{4-[Methyl-(1-methyl-piperidin-4-yl)-sulfamoyl]-phenyl}-acetamide
CID 673038
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-{4-[(2,6-dimethylpiperidin-1-yl)sulfonyl]phenyl}acetamide
CID 2836734
1-[4-(Piperidine-1-sulfonyl)-phenyl]-pyrrolidin-2-one
CID 745878

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pentanamide?
The IUPAC name of 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pentanamide (CID 2929394) is 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pentanamide.
What is the SMILES notation for 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pentanamide?
The canonical SMILES for 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pentanamide is CCCC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pentanamide?
The InChIKey is PNDZTDZWHSSHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-6-13(2)16(19)17-14-7-9-15(10-8-14)22(20,21)18-11-4-5-12-18/h7-10,13H,3-6,11-12H2,1-2H3,(H,17,19).
What are the key properties of 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pentanamide?
2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pentanamide has a molecular weight of 324.45 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pentanamide is sourced from PubChem (CID 2929394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).