N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide

C16H26N3O3S+ — CID 8901828

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCCC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-3-19(4-2)23(21,22)15-9-7-14(8-10-15)17-16(20)13-18-11-5-6-12-18/h7-10H,3-6,11-13H2,1-2H3,(H,17,20)/p+1
InChIKeyKQLIOBOFYZTCPL-UHFFFAOYSA-O
MW340.47 g/mol
LogP0.33
Rot. Bonds7

About N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide

N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide (PubChem CID 8901828) has the molecular formula C16H26N3O3S+ and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide
PubChem CID8901828
Molecular FormulaC16H26N3O3S+
Molecular Weight340.47 g/mol
Exact Mass340.17
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCCC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-3-19(4-2)23(21,22)15-9-7-14(8-10-15)17-16(20)13-18-11-5-6-12-18/h7-10H,3-6,11-13H2,1-2H3,(H,17,20)/p+1
InChIKeyKQLIOBOFYZTCPL-UHFFFAOYSA-O
XLogP0.33
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 46736589
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 7809321
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2459457
2-(azepan-1-ium-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8895996
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 7392316
2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 6971322
2-[cyclopropyl-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]amino]propanoic acid
CID 122100893
trans-(1R,2R)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 2112181
trans-(1S,2S)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 2112182
2-(2,6-dichlorophenyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 7760312

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide (CID 8901828) is N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCCC2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide?
The InChIKey is KQLIOBOFYZTCPL-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H25N3O3S/c1-3-19(4-2)23(21,22)15-9-7-14(8-10-15)17-16(20)13-18-11-5-6-12-18/h7-10H,3-6,11-13H2,1-2H3,(H,17,20)/p+1.
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide?
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide has a molecular weight of 340.47 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide is sourced from PubChem (CID 8901828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).