1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide

C26H30N2O4S — CID 3497150

IUPAC1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(OCCNC(=O)C2CCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H30N2O4S/c1-19(2)20-9-12-23(13-10-20)32-17-15-27-26(29)25-8-5-16-28(25)33(30,31)24-14-11-21-6-3-4-7-22(21)18-24/h3-4,6-7,9-14,18-19,25H,5,8,15-17H2,1-2H3,(H,27,29)
InChIKeyYTVNBTGSXKTHPB-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.31
Rot. Bonds8

About 1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide

1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide (PubChem CID 3497150) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide
PubChem CID3497150
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(OCCNC(=O)C2CCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H30N2O4S/c1-19(2)20-9-12-23(13-10-20)32-17-15-27-26(29)25-8-5-16-28(25)33(30,31)24-14-11-21-6-3-4-7-22(21)18-24/h3-4,6-7,9-14,18-19,25H,5,8,15-17H2,1-2H3,(H,27,29)
InChIKeyYTVNBTGSXKTHPB-UHFFFAOYSA-N
XLogP4.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 990825
(2R)-N-[2-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 41248997
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526
(2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 42559337
(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
(2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 8779427
1-(4-fluorophenyl)sulfonyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 18150496
dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium
CID 8779487
(2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 8779741
(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7421735
N-[2-(4-butoxyphenoxy)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 5295983
N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 42696103

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide (CID 3497150) is 1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide is CC(C)c1ccc(OCCNC(=O)C2CCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is YTVNBTGSXKTHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-19(2)20-9-12-23(13-10-20)32-17-15-27-26(29)25-8-5-16-28(25)33(30,31)24-14-11-21-6-3-4-7-22(21)18-24/h3-4,6-7,9-14,18-19,25H,5,8,15-17H2,1-2H3,(H,27,29).
What are the key properties of 1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide?
1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 466.60 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 3497150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).