(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide

C18H22N2O3S — CID 8779363

IUPAC(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O3S/c1-13(2)19-18(21)17-8-5-11-20(17)24(22,23)16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12-13,17H,5,8,11H2,1-2H3,(H,19,21)/t17-/m1/s1
InChIKeyKLDPUDZVUHZWSJ-QGZVFWFLSA-N
MW346.45 g/mol
LogP2.52
Rot. Bonds4

About (2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide

(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 8779363) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is (2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID8779363
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O3S/c1-13(2)19-18(21)17-8-5-11-20(17)24(22,23)16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12-13,17H,5,8,11H2,1-2H3,(H,19,21)/t17-/m1/s1
InChIKeyKLDPUDZVUHZWSJ-QGZVFWFLSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 42696103
(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 165121500
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526
(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117
(2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 8779523
(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
CID 8779584
dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium
CID 8779487
(2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 990825
(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7421735
1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 3497150
(2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 8779427
(2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 8779300

Frequently Asked Questions

What is the IUPAC name of (2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide (CID 8779363) is (2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is KLDPUDZVUHZWSJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13(2)19-18(21)17-8-5-11-20(17)24(22,23)16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12-13,17H,5,8,11H2,1-2H3,(H,19,21)/t17-/m1/s1.
What are the key properties of (2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide?
(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 8779363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).