N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

C18H20N2O3S — CID 2921073

IUPACN-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H20N2O3S/c21-18(19-15-8-9-15)17-6-3-11-20(17)24(22,23)16-10-7-13-4-1-2-5-14(13)12-16/h1-2,4-5,7,10,12,15,17H,3,6,8-9,11H2,(H,19,21)
InChIKeyIZMHDVUXKHNPMM-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.27
Rot. Bonds4

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

N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 2921073) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID2921073
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H20N2O3S/c21-18(19-15-8-9-15)17-6-3-11-20(17)24(22,23)16-10-7-13-4-1-2-5-14(13)12-16/h1-2,4-5,7,10,12,15,17H,3,6,8-9,11H2,(H,19,21)
InChIKeyIZMHDVUXKHNPMM-UHFFFAOYSA-N
XLogP2.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Hydroxy-N^2^-(3-Methylbutyl)-N^2^-(Naphthalen-2-Ylsulfonyl)-D-Valinamide
CID 53389286
(2R)-N-hydroxy-4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]pentanamide
CID 44596287
(2R)-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrrolidine-2-carboxamide
CID 46890295
(2S)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]-2-(naphthalen-1-ylsulfonylamino)pentanamide
CID 44356612
(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(naphthalen-1-ylsulfonylamino)pentanamide
CID 44356626
N-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide
CID 2738666
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526
6-bromo-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]naphthalene-2-sulfonamide
CID 10458428
N-(2-naphthalenesulfonyl)-L-valyl-L-leucinal
CID 10883981
(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 10993852
(S)-3-Methyl-2-(naphthalene-1-sulfonylamino)-pentanoic acid ((S)-1-methyl-2-oxo-ethyl)-amide
CID 44356637
(3S)-1-carbamimidoyl-N-[[(2S)-1-[2-(naphthalen-2-ylsulfonylamino)acetyl]pyrrolidin-2-yl]methyl]piperidine-3-carboxamide
CID 44358429

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 2921073) is N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is O=C(NC1CC1)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is IZMHDVUXKHNPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-18(19-15-8-9-15)17-6-3-11-20(17)24(22,23)16-10-7-13-4-1-2-5-14(13)12-16/h1-2,4-5,7,10,12,15,17H,3,6,8-9,11H2,(H,19,21).
What are the key properties of N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2921073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).