1-naphthalen-2-ylsulfonyl-N-pyridin-4-ylpyrrolidine-2-carboxamide

C20H19N3O3S — CID 6459108

IUPAC1-naphthalen-2-ylsulfonyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccncc1)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H19N3O3S/c24-20(22-17-9-11-21-12-10-17)19-6-3-13-23(19)27(25,26)18-8-7-15-4-1-2-5-16(15)14-18/h1-2,4-5,7-12,14,19H,3,6,13H2,(H,21,22,24)
InChIKeyFNVOIHVALBDIKK-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.03
Rot. Bonds4

About 1-naphthalen-2-ylsulfonyl-N-pyridin-4-ylpyrrolidine-2-carboxamide

1-naphthalen-2-ylsulfonyl-N-pyridin-4-ylpyrrolidine-2-carboxamide (PubChem CID 6459108) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-N-pyridin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
PubChem CID6459108
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name1-naphthalen-2-ylsulfonyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccncc1)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H19N3O3S/c24-20(22-17-9-11-21-12-10-17)19-6-3-13-23(19)27(25,26)18-8-7-15-4-1-2-5-16(15)14-18/h1-2,4-5,7-12,14,19H,3,6,13H2,(H,21,22,24)
InChIKeyFNVOIHVALBDIKK-UHFFFAOYSA-N
XLogP3.03
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

P4 alanylamide pyrrolidin-2-one 28
CID 10218126
P4 alanylamide pyrrolidin-2-one 27
CID 10311669
P4 alanylamide pyrrolidin-2-one 24
CID 23646115
(S)-N-(2,5-dimethylphenyl)-1-(quinolin-8-ylsulfonyl)pyrrolidine-2-carboxamide
CID 49842897
N-(1-((3,4-dimethylphenyl)sulfonyl)-1H-pyrrol-3-yl)picolinamide
CID 52914664
(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(pyridin-4-ylmethyl)amino]butanamide
CID 57391224
6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
CID 57394086
(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(pyridin-3-ylmethyl)amino]butanamide
CID 57394729
(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]butanamide
CID 57403445
N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]naphthalene-1-sulfonamide
CID 58509360
2-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylacetamide
CID 925202
2-(naphthalen-2-ylsulfonylamino)-N-(2-pyridin-2-ylethyl)acetamide
CID 2448296

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-N-pyridin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-N-pyridin-4-ylpyrrolidine-2-carboxamide (CID 6459108) is 1-naphthalen-2-ylsulfonyl-N-pyridin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-N-pyridin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-N-pyridin-4-ylpyrrolidine-2-carboxamide is O=C(Nc1ccncc1)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-N-pyridin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is FNVOIHVALBDIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c24-20(22-17-9-11-21-12-10-17)19-6-3-13-23(19)27(25,26)18-8-7-15-4-1-2-5-16(15)14-18/h1-2,4-5,7-12,14,19H,3,6,13H2,(H,21,22,24).
What are the key properties of 1-naphthalen-2-ylsulfonyl-N-pyridin-4-ylpyrrolidine-2-carboxamide?
1-naphthalen-2-ylsulfonyl-N-pyridin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-N-pyridin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 6459108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).