N-(2-hydroxy-4-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

C20H24N2O4S — CID 4794599

IUPACN-(2-hydroxy-4-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(O)c1
InChIInChI=1S/C20H24N2O4S/c1-15-5-10-18(19(23)13-15)21-20(24)14-16-6-8-17(9-7-16)27(25,26)22-11-3-2-4-12-22/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,21,24)
InChIKeyRTGDKRSUECVKCL-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.06
Rot. Bonds5

About N-(2-hydroxy-4-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

N-(2-hydroxy-4-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4794599) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID4794599
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(2-hydroxy-4-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(O)c1
InChIInChI=1S/C20H24N2O4S/c1-15-5-10-18(19(23)13-15)21-20(24)14-16-6-8-17(9-7-16)27(25,26)22-11-3-2-4-12-22/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,21,24)
InChIKeyRTGDKRSUECVKCL-UHFFFAOYSA-N
XLogP3.06
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3557212
N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3115504
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
BMP activator B06
CID 24980360
1-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 51188664
methyl {4-[(8-hydroxy-3,4-dihydro-1(2H)-quinolinyl)sulfonyl]phenyl}carbamate
CID 1190430
N-(2-hydroxy-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2103502
N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 5236593
N-(2-hydroxyphenyl)-3-{[(2-hydroxyphenyl)amino]sulfonyl}benzamide
CID 1099210
N-(2-hydroxy-5-methylphenyl)-3-(1-piperidinylsulfonyl)benzamide
CID 1262336
N-(2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 25163603
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2399256

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 4794599) is N-(2-hydroxy-4-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is RTGDKRSUECVKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-5-10-18(19(23)13-15)21-20(24)14-16-6-8-17(9-7-16)27(25,26)22-11-3-2-4-12-22/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,21,24).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
N-(2-hydroxy-4-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 388.49 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4794599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).