2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide

C18H23N3O3S — CID 8976439

IUPAC2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
SMILESCn1cccc1[C@H]1CCCN1CC(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C18H23N3O3S/c1-20-11-5-8-15(20)16-9-6-12-21(16)13-18(22)19-14-7-3-4-10-17(14)25(2,23)24/h3-5,7-8,10-11,16H,6,9,12-13H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyLMVGCNBJQSBROD-MRXNPFEDSA-N
MW361.47 g/mol
LogP2.20
Rot. Bonds5

About 2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide

2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide (PubChem CID 8976439) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
PubChem CID8976439
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
SMILESCn1cccc1[C@H]1CCCN1CC(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C18H23N3O3S/c1-20-11-5-8-15(20)16-9-6-12-21(16)13-18(22)19-14-7-3-4-10-17(14)25(2,23)24/h3-5,7-8,10-11,16H,6,9,12-13H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyLMVGCNBJQSBROD-MRXNPFEDSA-N
XLogP2.20
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 7775025
N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8976052
N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8976124
N-(4-fluorophenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 8976718
N-(4-fluorophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 8976713
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8975070
N-(4-ethoxyphenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8973188
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 41166959
N-(3-cyanophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8972880
N-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8973112
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8976470
N,N-diethyl-4-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 8974677

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide (CID 8976439) is 2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide is Cn1cccc1[C@H]1CCCN1CC(=O)Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of 2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide?
The InChIKey is LMVGCNBJQSBROD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-20-11-5-8-15(20)16-9-6-12-21(16)13-18(22)19-14-7-3-4-10-17(14)25(2,23)24/h3-5,7-8,10-11,16H,6,9,12-13H2,1-2H3,(H,19,22)/t16-/m1/s1.
What are the key properties of 2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide?
2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide has a molecular weight of 361.47 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 8976439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).