N-hydroxy-2-[[4-(3-methyl-4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetamide

C20H22N2O4S — CID 10971085

IUPACN-hydroxy-2-[[4-(3-methyl-4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetamide
SMILESCc1cc(C2=CCN(S(=O)(=O)CC(=O)NO)CC2)ccc1-c1ccccc1
InChIInChI=1S/C20H22N2O4S/c1-15-13-18(7-8-19(15)17-5-3-2-4-6-17)16-9-11-22(12-10-16)27(25,26)14-20(23)21-24/h2-9,13,24H,10-12,14H2,1H3,(H,21,23)
InChIKeyOWAPDZZCMRGQHC-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.59
Rot. Bonds5

About N-hydroxy-2-[[4-(3-methyl-4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetamide

N-hydroxy-2-[[4-(3-methyl-4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetamide (PubChem CID 10971085) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-hydroxy-2-[[4-(3-methyl-4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[[4-(3-methyl-4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetamide
PubChem CID10971085
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-hydroxy-2-[[4-(3-methyl-4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetamide
SMILESCc1cc(C2=CCN(S(=O)(=O)CC(=O)NO)CC2)ccc1-c1ccccc1
InChIInChI=1S/C20H22N2O4S/c1-15-13-18(7-8-19(15)17-5-3-2-4-6-17)16-9-11-22(12-10-16)27(25,26)14-20(23)21-24/h2-9,13,24H,10-12,14H2,1H3,(H,21,23)
InChIKeyOWAPDZZCMRGQHC-UHFFFAOYSA-N
XLogP2.59
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.59
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[4-(3-methyl-4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetamide?
The IUPAC name of N-hydroxy-2-[[4-(3-methyl-4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetamide (CID 10971085) is N-hydroxy-2-[[4-(3-methyl-4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[[4-(3-methyl-4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetamide?
The canonical SMILES for N-hydroxy-2-[[4-(3-methyl-4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetamide is Cc1cc(C2=CCN(S(=O)(=O)CC(=O)NO)CC2)ccc1-c1ccccc1.
What is the InChIKey of N-hydroxy-2-[[4-(3-methyl-4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetamide?
The InChIKey is OWAPDZZCMRGQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-15-13-18(7-8-19(15)17-5-3-2-4-6-17)16-9-11-22(12-10-16)27(25,26)14-20(23)21-24/h2-9,13,24H,10-12,14H2,1H3,(H,21,23).
What are the key properties of N-hydroxy-2-[[4-(3-methyl-4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetamide?
N-hydroxy-2-[[4-(3-methyl-4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetamide has a molecular weight of 386.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[4-(3-methyl-4-phenylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetamide is sourced from PubChem (CID 10971085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).