(2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

C22H19N3O3S — CID 8779328

IUPAC(2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H19N3O3S/c23-15-18-8-3-4-9-20(18)24-22(26)21-10-5-13-25(21)29(27,28)19-12-11-16-6-1-2-7-17(16)14-19/h1-4,6-9,11-12,14,21H,5,10,13H2,(H,24,26)/t21-/m1/s1
InChIKeyVMMLDSSSIZLJLJ-OAQYLSRUSA-N
MW405.48 g/mol
LogP3.50
Rot. Bonds4

About (2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

(2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 8779328) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is (2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID8779328
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name(2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H19N3O3S/c23-15-18-8-3-4-9-20(18)24-22(26)21-10-5-13-25(21)29(27,28)19-12-11-16-6-1-2-7-17(16)14-19/h1-4,6-9,11-12,14,21H,5,10,13H2,(H,24,26)/t21-/m1/s1
InChIKeyVMMLDSSSIZLJLJ-OAQYLSRUSA-N
XLogP3.50
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117
N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 123755413
N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 4994407
(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
(2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 8779300
(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
CID 8779584
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526
N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 42696103
(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7421735
(2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 8779427
(2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 992693
(2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 1296474

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 8779328) is (2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is N#Cc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is VMMLDSSSIZLJLJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H19N3O3S/c23-15-18-8-3-4-9-20(18)24-22(26)21-10-5-13-25(21)29(27,28)19-12-11-16-6-1-2-7-17(16)14-19/h1-4,6-9,11-12,14,21H,5,10,13H2,(H,24,26)/t21-/m1/s1.
What are the key properties of (2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
(2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 8779328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).