N-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide

C23H21N3O3S — CID 54070623

IUPACN-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
SMILESN#Cc1cccc(CN2CCCC(NS(=O)(=O)c3ccc4ccccc4c3)C2=O)c1
InChIInChI=1S/C23H21N3O3S/c24-15-17-5-3-6-18(13-17)16-26-12-4-9-22(23(26)27)25-30(28,29)21-11-10-19-7-1-2-8-20(19)14-21/h1-3,5-8,10-11,13-14,22,25H,4,9,12,16H2
InChIKeyMGECWACBPMUSOO-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.18
Rot. Bonds5

About N-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide

N-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 54070623) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
PubChem CID54070623
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
SMILESN#Cc1cccc(CN2CCCC(NS(=O)(=O)c3ccc4ccccc4c3)C2=O)c1
InChIInChI=1S/C23H21N3O3S/c24-15-17-5-3-6-18(13-17)16-26-12-4-9-22(23(26)27)25-30(28,29)21-11-10-19-7-1-2-8-20(19)14-21/h1-3,5-8,10-11,13-14,22,25H,4,9,12,16H2
InChIKeyMGECWACBPMUSOO-UHFFFAOYSA-N
XLogP3.18
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-7-hydroxynaphthalene-2-sulfonamide
CID 10645849
N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenoxybenzenesulfonamide
CID 10789587
5-chloro-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methoxynaphthalene-2-sulfonamide
CID 54501431
N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(3-methylphenyl)benzenesulfonamide
CID 10837063
6-chloro-N-[1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide
CID 54398462
2-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-naphthalen-2-ylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 18392423
2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid
CID 59056535
2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid
CID 20580878
4-chloro-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide
CID 54469140
N-[7-[[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]sulfamoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl]-3,3,3-trifluoropropanamide
CID 139802155
2-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-[(7-methoxynaphthalen-2-yl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 67581126
2-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-[(7-methoxynaphthalen-2-yl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 67583023

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide (CID 54070623) is N-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide is N#Cc1cccc(CN2CCCC(NS(=O)(=O)c3ccc4ccccc4c3)C2=O)c1.
What is the InChIKey of N-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is MGECWACBPMUSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c24-15-17-5-3-6-18(13-17)16-26-12-4-9-22(23(26)27)25-30(28,29)21-11-10-19-7-1-2-8-20(19)14-21/h1-3,5-8,10-11,13-14,22,25H,4,9,12,16H2.
What are the key properties of N-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide?
N-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 419.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 54070623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).