(2R)-N-[2-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

C23H22Cl2N2O4S — CID 41248997

IUPAC(2R)-N-[2-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCCOc1cccc(Cl)c1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H22Cl2N2O4S/c24-19-7-3-9-21(22(19)25)31-14-12-26-23(28)20-8-4-13-27(20)32(29,30)18-11-10-16-5-1-2-6-17(16)15-18/h1-3,5-7,9-11,15,20H,4,8,12-14H2,(H,26,28)/t20-/m1/s1
InChIKeyWOJAHURISVUZBO-HXUWFJFHSA-N
MW493.41 g/mol
LogP4.49
Rot. Bonds7

About (2R)-N-[2-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

(2R)-N-[2-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 41248997) has the molecular formula C23H22Cl2N2O4S and a molecular weight of 493.41 g/mol. Its IUPAC name is (2R)-N-[2-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID41248997
Molecular FormulaC23H22Cl2N2O4S
Molecular Weight493.41 g/mol
Exact Mass492.07
IUPAC Name(2R)-N-[2-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCCOc1cccc(Cl)c1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H22Cl2N2O4S/c24-19-7-3-9-21(22(19)25)31-14-12-26-23(28)20-8-4-13-27(20)32(29,30)18-11-10-16-5-1-2-6-17(16)15-18/h1-3,5-7,9-11,15,20H,4,8,12-14H2,(H,26,28)/t20-/m1/s1
InChIKeyWOJAHURISVUZBO-HXUWFJFHSA-N
XLogP4.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.41
LogP ≤ 54.49
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)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 42559337
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
(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-(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-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 41248997) is (2R)-N-[2-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is O=C(NCCOc1cccc(Cl)c1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-N-[2-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is WOJAHURISVUZBO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22Cl2N2O4S/c24-19-7-3-9-21(22(19)25)31-14-12-26-23(28)20-8-4-13-27(20)32(29,30)18-11-10-16-5-1-2-6-17(16)15-18/h1-3,5-7,9-11,15,20H,4,8,12-14H2,(H,26,28)/t20-/m1/s1.
What are the key properties of (2R)-N-[2-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
(2R)-N-[2-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 493.41 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 41248997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).