N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

C28H26N2O3S — CID 42696103

IUPACN-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C28H26N2O3S/c31-28(29-27(22-11-3-1-4-12-22)23-13-5-2-6-14-23)26-16-9-19-30(26)34(32,33)25-18-17-21-10-7-8-15-24(21)20-25/h1-8,10-15,17-18,20,26-27H,9,16,19H2,(H,29,31)
InChIKeyQWABJHMIKXFYAA-UHFFFAOYSA-N
MW470.59 g/mol
LogP4.90
Rot. Bonds6

About N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 42696103) has the molecular formula C28H26N2O3S and a molecular weight of 470.59 g/mol. Its IUPAC name is N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID42696103
Molecular FormulaC28H26N2O3S
Molecular Weight470.59 g/mol
Exact Mass470.17
IUPAC NameN-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C28H26N2O3S/c31-28(29-27(22-11-3-1-4-12-22)23-13-5-2-6-14-23)26-16-9-19-30(26)34(32,33)25-18-17-21-10-7-8-15-24(21)20-25/h1-8,10-15,17-18,20,26-27H,9,16,19H2,(H,29,31)
InChIKeyQWABJHMIKXFYAA-UHFFFAOYSA-N
XLogP4.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzhydryl-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)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117
(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7421735
(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
CID 8779584
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526
(2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 8779427
(2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 990825
(2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 8779523
(2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 8779741
(2S)-N-benzhydryl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30128206
(2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 8779300
dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium
CID 8779487

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 42696103) is N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is QWABJHMIKXFYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3S/c31-28(29-27(22-11-3-1-4-12-22)23-13-5-2-6-14-23)26-16-9-19-30(26)34(32,33)25-18-17-21-10-7-8-15-24(21)20-25/h1-8,10-15,17-18,20,26-27H,9,16,19H2,(H,29,31).
What are the key properties of N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 470.59 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42696103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).