(2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide

C24H26N2O3S — CID 8779741

IUPAC(2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H26N2O3S/c27-24(25-16-6-10-19-8-2-1-3-9-19)23-13-7-17-26(23)30(28,29)22-15-14-20-11-4-5-12-21(20)18-22/h1-5,8-9,11-12,14-15,18,23H,6-7,10,13,16-17H2,(H,25,27)/t23-/m0/s1
InChIKeyAEJLJQWECFKIGF-QHCPKHFHSA-N
MW422.55 g/mol
LogP3.74
Rot. Bonds7

About (2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide

(2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide (PubChem CID 8779741) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is (2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
PubChem CID8779741
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name(2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H26N2O3S/c27-24(25-16-6-10-19-8-2-1-3-9-19)23-13-7-17-26(23)30(28,29)22-15-14-20-11-4-5-12-21(20)18-22/h1-5,8-9,11-12,14-15,18,23H,6-7,10,13,16-17H2,(H,25,27)/t23-/m0/s1
InChIKeyAEJLJQWECFKIGF-QHCPKHFHSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 8779427
(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7421735
(2R)-1-(4-chlorophenyl)sulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 8795067
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526
(2R)-N-[2-(2-benzylphenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 42559337
1-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 24654361
(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
1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 3497150
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 (2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide (CID 8779741) is (2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide is O=C(NCCCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is AEJLJQWECFKIGF-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H26N2O3S/c27-24(25-16-6-10-19-8-2-1-3-9-19)23-13-7-17-26(23)30(28,29)22-15-14-20-11-4-5-12-21(20)18-22/h1-5,8-9,11-12,14-15,18,23H,6-7,10,13,16-17H2,(H,25,27)/t23-/m0/s1.
What are the key properties of (2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide?
(2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 8779741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).