2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide

C16H25N3O3S — CID 95908806

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESCN(CC(=O)NCCCN1CCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H25N3O3S/c1-18(23(21,22)15-8-3-2-4-9-15)14-16(20)17-10-7-13-19-11-5-6-12-19/h2-4,8-9H,5-7,10-14H2,1H3,(H,17,20)
InChIKeyRZLVKIRENKWXIO-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.91
Rot. Bonds8

About 2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide

2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 95908806) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID95908806
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESCN(CC(=O)NCCCN1CCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H25N3O3S/c1-18(23(21,22)15-8-3-2-4-9-15)14-16(20)17-10-7-13-19-11-5-6-12-19/h2-4,8-9H,5-7,10-14H2,1H3,(H,17,20)
InChIKeyRZLVKIRENKWXIO-UHFFFAOYSA-N
XLogP0.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 94876787
2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide
CID 40604128
2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide
CID 119429589
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 27743901
2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide
CID 100712934
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 30273400
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide
CID 60556146
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 133209869
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 41438126
2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide
CID 100763497
3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020134
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 133200145

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide (CID 95908806) is 2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide is CN(CC(=O)NCCCN1CCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is RZLVKIRENKWXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-18(23(21,22)15-8-3-2-4-9-15)14-16(20)17-10-7-13-19-11-5-6-12-19/h2-4,8-9H,5-7,10-14H2,1H3,(H,17,20).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 339.46 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 95908806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).