(2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

C30H30N2O4S — CID 42559337

IUPAC(2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCCOc1ccccc1Cc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C30H30N2O4S/c33-30(31-18-20-36-29-15-7-6-13-26(29)21-23-9-2-1-3-10-23)28-14-8-19-32(28)37(34,35)27-17-16-24-11-4-5-12-25(24)22-27/h1-7,9-13,15-17,22,28H,8,14,18-21H2,(H,31,33)/t28-/m1/s1
InChIKeyIAXZGYDPTHRUCM-MUUNZHRXSA-N
MW514.65 g/mol
LogP4.78
Rot. Bonds9

About (2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

(2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 42559337) has the molecular formula C30H30N2O4S and a molecular weight of 514.65 g/mol. Its IUPAC name is (2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID42559337
Molecular FormulaC30H30N2O4S
Molecular Weight514.65 g/mol
Exact Mass514.19
IUPAC Name(2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCCOc1ccccc1Cc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C30H30N2O4S/c33-30(31-18-20-36-29-15-7-6-13-26(29)21-23-9-2-1-3-10-23)28-14-8-19-32(28)37(34,35)27-17-16-24-11-4-5-12-25(24)22-27/h1-7,9-13,15-17,22,28H,8,14,18-21H2,(H,31,33)/t28-/m1/s1
InChIKeyIAXZGYDPTHRUCM-MUUNZHRXSA-N
XLogP4.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.65
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[2-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 41248997
(2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 8779427
(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-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 3497150
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526
1-(4-fluorophenyl)sulfonyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 18150496
(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-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 42696103
(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
CID 8779584

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 42559337) is (2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is O=C(NCCOc1ccccc1Cc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is IAXZGYDPTHRUCM-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H30N2O4S/c33-30(31-18-20-36-29-15-7-6-13-26(29)21-23-9-2-1-3-10-23)28-14-8-19-32(28)37(34,35)27-17-16-24-11-4-5-12-25(24)22-27/h1-7,9-13,15-17,22,28H,8,14,18-21H2,(H,31,33)/t28-/m1/s1.
What are the key properties of (2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
(2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 514.65 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42559337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).