N-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide

C22H29N3O3S — CID 55499255

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCCC2c2ccccc2)c1
InChIInChI=1S/C22H29N3O3S/c1-3-25(4-2)29(27,28)20-13-8-12-19(16-20)23-22(26)17-24-15-9-14-21(24)18-10-6-5-7-11-18/h5-8,10-13,16,21H,3-4,9,14-15,17H2,1-2H3,(H,23,26)
InChIKeyFLUKNZYVGZTSSC-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.49
Rot. Bonds8

About N-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide

N-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide (PubChem CID 55499255) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide
PubChem CID55499255
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCCC2c2ccccc2)c1
InChIInChI=1S/C22H29N3O3S/c1-3-25(4-2)29(27,28)20-13-8-12-19(16-20)23-22(26)17-24-15-9-14-21(24)18-10-6-5-7-11-18/h5-8,10-13,16,21H,3-4,9,14-15,17H2,1-2H3,(H,23,26)
InChIKeyFLUKNZYVGZTSSC-UHFFFAOYSA-N
XLogP3.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 26671200
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 41166959
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 55530071
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 46614612
N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930625
N-(1,3-benzodioxol-5-yl)-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 17440176
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 11931064
N-[3-(diethylsulfamoyl)phenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899897
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 51313660
N-(2,6-dimethylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41448251
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide (CID 55499255) is N-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCCC2c2ccccc2)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide?
The InChIKey is FLUKNZYVGZTSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-25(4-2)29(27,28)20-13-8-12-19(16-20)23-22(26)17-24-15-9-14-21(24)18-10-6-5-7-11-18/h5-8,10-13,16,21H,3-4,9,14-15,17H2,1-2H3,(H,23,26).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide?
N-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide has a molecular weight of 415.56 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 55499255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).