1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide

C19H20N2O3S — CID 27741102

IUPAC1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H20N2O3S/c1-2-11-20-19(22)16-9-12-21(13-10-16)25(23,24)18-8-7-15-5-3-4-6-17(15)14-18/h1,3-8,14,16H,9-13H2,(H,20,22)
InChIKeyFATKNGLQGANEJQ-UHFFFAOYSA-N
MW356.45 g/mol
LogP1.99
Rot. Bonds4

About 1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide

1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide (PubChem CID 27741102) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide
PubChem CID27741102
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H20N2O3S/c1-2-11-20-19(22)16-9-12-21(13-10-16)25(23,24)18-8-7-15-5-3-4-6-17(15)14-18/h1,3-8,14,16H,9-13H2,(H,20,22)
InChIKeyFATKNGLQGANEJQ-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 3911093
N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 32645883
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26560022
1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874904
N-[2-(benzylamino)-2-oxoethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 39821890
1-naphthalen-2-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 2985293
N-(3-methylbutan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 43001842
N-(4-acetamidophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26499572
N-[[2-(diethylaminomethyl)phenyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 41438993
N-(2-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26208569
N-[2-(2-methoxyphenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26181194
N-(2-chlorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26574910

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide (CID 27741102) is 1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide is C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide?
The InChIKey is FATKNGLQGANEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-2-11-20-19(22)16-9-12-21(13-10-16)25(23,24)18-8-7-15-5-3-4-6-17(15)14-18/h1,3-8,14,16H,9-13H2,(H,20,22).
What are the key properties of 1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide?
1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide is sourced from PubChem (CID 27741102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).