N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

C17H20N2O3S — CID 6460526

IUPACN-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H20N2O3S/c1-2-18-17(20)16-8-5-11-19(16)23(21,22)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12,16H,2,5,8,11H2,1H3,(H,18,20)
InChIKeyNZGRXZLRVINMCY-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.13
Rot. Bonds4

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

N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 6460526) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID6460526
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC NameN-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H20N2O3S/c1-2-18-17(20)16-8-5-11-19(16)23(21,22)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12,16H,2,5,8,11H2,1H3,(H,18,20)
InChIKeyNZGRXZLRVINMCY-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7421735
(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
(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
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
(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
CID 8779584
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)-N-[2-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 41248997
(2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 8779523

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 6460526) is N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is CCNC(=O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is NZGRXZLRVINMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-2-18-17(20)16-8-5-11-19(16)23(21,22)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12,16H,2,5,8,11H2,1H3,(H,18,20).
What are the key properties of N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 6460526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).