(2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide

C23H24N2O3S — CID 8779427

IUPAC(2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O3S/c26-23(24-15-14-18-7-2-1-3-8-18)22-11-6-16-25(22)29(27,28)21-13-12-19-9-4-5-10-20(19)17-21/h1-5,7-10,12-13,17,22H,6,11,14-16H2,(H,24,26)/t22-/m1/s1
InChIKeyBMEXXWFVVZHMRK-JOCHJYFZSA-N
MW408.52 g/mol
LogP3.35
Rot. Bonds6

About (2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide

(2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide (PubChem CID 8779427) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is (2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
PubChem CID8779427
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name(2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O3S/c26-23(24-15-14-18-7-2-1-3-8-18)22-11-6-16-25(22)29(27,28)21-13-12-19-9-4-5-10-20(19)17-21/h1-5,7-10,12-13,17,22H,6,11,14-16H2,(H,24,26)/t22-/m1/s1
InChIKeyBMEXXWFVVZHMRK-JOCHJYFZSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 8779741
(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7421735
1-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 24654361
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526
(2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 42559337
(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117
(2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 990825
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
(2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1442033
(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
(2R)-1-(4-chlorophenyl)sulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 8795067
1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 3497150

Frequently Asked Questions

What is the IUPAC name of (2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide (CID 8779427) is (2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide is O=C(NCCc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The InChIKey is BMEXXWFVVZHMRK-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H24N2O3S/c26-23(24-15-14-18-7-2-1-3-8-18)22-11-6-16-25(22)29(27,28)21-13-12-19-9-4-5-10-20(19)17-21/h1-5,7-10,12-13,17,22H,6,11,14-16H2,(H,24,26)/t22-/m1/s1.
What are the key properties of (2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
(2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 3.35, 6 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-(2-phenylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 8779427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).