(2S)-N-(2-cyanoethyl)-N-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

C19H21N3O3S — CID 8779806

IUPAC(2S)-N-(2-cyanoethyl)-N-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCN(CCC#N)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H21N3O3S/c1-21(12-5-11-20)19(23)18-8-4-13-22(18)26(24,25)17-10-9-15-6-2-3-7-16(15)14-17/h2-3,6-7,9-10,14,18H,4-5,8,12-13H2,1H3/t18-/m0/s1
InChIKeyWCPNLCOPLWCJTA-SFHVURJKSA-N
MW371.46 g/mol
LogP2.36
Rot. Bonds5

About (2S)-N-(2-cyanoethyl)-N-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

(2S)-N-(2-cyanoethyl)-N-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 8779806) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is (2S)-N-(2-cyanoethyl)-N-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-cyanoethyl)-N-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID8779806
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name(2S)-N-(2-cyanoethyl)-N-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCN(CCC#N)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H21N3O3S/c1-21(12-5-11-20)19(23)18-8-4-13-22(18)26(24,25)17-10-9-15-6-2-3-7-16(15)14-17/h2-3,6-7,9-10,14,18H,4-5,8,12-13H2,1H3/t18-/m0/s1
InChIKeyWCPNLCOPLWCJTA-SFHVURJKSA-N
XLogP2.36
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 8779523
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526
3-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]-methylamino]propanoic acid
CID 119232881
(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone
CID 8779612
(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
CID 8779584
(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117
(2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 8779328
(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7421735
(2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 990825
(2S)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 31641558
(2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 8779427

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyanoethyl)-N-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-cyanoethyl)-N-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 8779806) is (2S)-N-(2-cyanoethyl)-N-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-cyanoethyl)-N-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-cyanoethyl)-N-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is CN(CCC#N)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-N-(2-cyanoethyl)-N-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is WCPNLCOPLWCJTA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-21(12-5-11-20)19(23)18-8-4-13-22(18)26(24,25)17-10-9-15-6-2-3-7-16(15)14-17/h2-3,6-7,9-10,14,18H,4-5,8,12-13H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-N-(2-cyanoethyl)-N-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
(2S)-N-(2-cyanoethyl)-N-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyanoethyl)-N-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 8779806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).