(1R)-N-hydroxy-2-[4-(2-phenylethynyl)phenyl]sulfonylcyclopentane-1-carboxamide

C20H19NO4S — CID 155517141

IUPAC(1R)-N-hydroxy-2-[4-(2-phenylethynyl)phenyl]sulfonylcyclopentane-1-carboxamide
SMILESO=C(NO)[C@H]1CCCC1S(=O)(=O)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C20H19NO4S/c22-20(21-23)18-7-4-8-19(18)26(24,25)17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,11-14,18-19,23H,4,7-8H2,(H,21,22)/t18-,19?/m0/s1
InChIKeyGDIVQVJILGFMET-OYKVQYDMSA-N
MW369.44 g/mol
LogP2.53
Rot. Bonds3

About (1R)-N-hydroxy-2-[4-(2-phenylethynyl)phenyl]sulfonylcyclopentane-1-carboxamide

(1R)-N-hydroxy-2-[4-(2-phenylethynyl)phenyl]sulfonylcyclopentane-1-carboxamide (PubChem CID 155517141) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is (1R)-N-hydroxy-2-[4-(2-phenylethynyl)phenyl]sulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-hydroxy-2-[4-(2-phenylethynyl)phenyl]sulfonylcyclopentane-1-carboxamide
PubChem CID155517141
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name(1R)-N-hydroxy-2-[4-(2-phenylethynyl)phenyl]sulfonylcyclopentane-1-carboxamide
SMILESO=C(NO)[C@H]1CCCC1S(=O)(=O)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C20H19NO4S/c22-20(21-23)18-7-4-8-19(18)26(24,25)17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,11-14,18-19,23H,4,7-8H2,(H,21,22)/t18-,19?/m0/s1
InChIKeyGDIVQVJILGFMET-OYKVQYDMSA-N
XLogP2.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-Benzyl-benzenesulfonylmethyl)-5-phenyl-pentanoic acid hydroxyamide
CID 44282970
3-Benzenesulfonyl-N-hydroxy-3-phenyl-propionamide
CID 10756964
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide
CID 56951133
N-hydroxy-2-methyl-2-(methylsulfonyl)-4-[4-(phenylthio)phenyl]butanamide
CID 76445789
2-Cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide
CID 162652807
2-(benzenesulfonyl)-N-hydroxy-2-methyl-4-phenylbutanamide
CID 137646173
2-(benzenesulfonyl)-N-hydroxy-4-phenylbutanamide
CID 137658434
N-hydroxy-6-(naphth-2-ylsulfonyl)hexanamide
CID 25242564
1-amino-3-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxycyclopentane-1-carboxamide
CID 57162835
N-hydroxy-2-(3-methyl-1,1-dioxo-1-benzothiophen-2-yl)-5-phenylpentanamide
CID 9799575
N-hydroxy-2-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-5-phenylpentanamide
CID 9907559
N-hydroxy-6-(4-phenylphenyl)sulfonylcyclohexene-1-carboxamide
CID 10247751

Frequently Asked Questions

What is the IUPAC name of (1R)-N-hydroxy-2-[4-(2-phenylethynyl)phenyl]sulfonylcyclopentane-1-carboxamide?
The IUPAC name of (1R)-N-hydroxy-2-[4-(2-phenylethynyl)phenyl]sulfonylcyclopentane-1-carboxamide (CID 155517141) is (1R)-N-hydroxy-2-[4-(2-phenylethynyl)phenyl]sulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for (1R)-N-hydroxy-2-[4-(2-phenylethynyl)phenyl]sulfonylcyclopentane-1-carboxamide?
The canonical SMILES for (1R)-N-hydroxy-2-[4-(2-phenylethynyl)phenyl]sulfonylcyclopentane-1-carboxamide is O=C(NO)[C@H]1CCCC1S(=O)(=O)c1ccc(C#Cc2ccccc2)cc1.
What is the InChIKey of (1R)-N-hydroxy-2-[4-(2-phenylethynyl)phenyl]sulfonylcyclopentane-1-carboxamide?
The InChIKey is GDIVQVJILGFMET-OYKVQYDMSA-N. The full InChI is InChI=1S/C20H19NO4S/c22-20(21-23)18-7-4-8-19(18)26(24,25)17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,11-14,18-19,23H,4,7-8H2,(H,21,22)/t18-,19?/m0/s1.
What are the key properties of (1R)-N-hydroxy-2-[4-(2-phenylethynyl)phenyl]sulfonylcyclopentane-1-carboxamide?
(1R)-N-hydroxy-2-[4-(2-phenylethynyl)phenyl]sulfonylcyclopentane-1-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-hydroxy-2-[4-(2-phenylethynyl)phenyl]sulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 155517141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).