N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

C21H26N2O4S — CID 60561901

IUPACN-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCc1ccc(O)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C21H26N2O4S/c1-16-5-11-20(24)19(15-16)22-21(25)12-8-17-6-9-18(10-7-17)28(26,27)23-13-3-2-4-14-23/h5-7,9-11,15,24H,2-4,8,12-14H2,1H3,(H,22,25)
InChIKeyFOEYGBVXBQSSTI-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.45
Rot. Bonds6

About N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 60561901) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID60561901
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCc1ccc(O)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C21H26N2O4S/c1-16-5-11-20(24)19(15-16)22-21(25)12-8-17-6-9-18(10-7-17)28(26,27)23-13-3-2-4-14-23/h5-7,9-11,15,24H,2-4,8,12-14H2,1H3,(H,22,25)
InChIKeyFOEYGBVXBQSSTI-UHFFFAOYSA-N
XLogP3.45
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.45
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

N-(2-hydroxy-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2103502
N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 35029071
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-methylphenyl)propanamide
CID 24555023
N-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55889452
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide
CID 24543222
N-(2,6-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 16567459
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
N-(5-bromo-2-methoxyphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60540334
N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 32621375
N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27444998
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 51186069
N-(4-bromo-2-chlorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24505995

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 60561901) is N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is Cc1ccc(O)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is FOEYGBVXBQSSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16-5-11-20(24)19(15-16)22-21(25)12-8-17-6-9-18(10-7-17)28(26,27)23-13-3-2-4-14-23/h5-7,9-11,15,24H,2-4,8,12-14H2,1H3,(H,22,25).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 402.52 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 60561901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).