N-(2,6-dimethylphenyl)-3-(4-hydroxy-3,5-diphenylphenyl)sulfonylpropanamide

C29H27NO4S — CID 19753038

IUPACN-(2,6-dimethylphenyl)-3-(4-hydroxy-3,5-diphenylphenyl)sulfonylpropanamide
SMILESCc1cccc(C)c1NC(=O)CCS(=O)(=O)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C29H27NO4S/c1-20-10-9-11-21(2)28(20)30-27(31)16-17-35(33,34)24-18-25(22-12-5-3-6-13-22)29(32)26(19-24)23-14-7-4-8-15-23/h3-15,18-19,32H,16-17H2,1-2H3,(H,30,31)
InChIKeyKDWJZMYLKVYNBB-UHFFFAOYSA-N
MW485.61 g/mol
LogP6.15
Rot. Bonds7

About N-(2,6-dimethylphenyl)-3-(4-hydroxy-3,5-diphenylphenyl)sulfonylpropanamide

N-(2,6-dimethylphenyl)-3-(4-hydroxy-3,5-diphenylphenyl)sulfonylpropanamide (PubChem CID 19753038) has the molecular formula C29H27NO4S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(4-hydroxy-3,5-diphenylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(4-hydroxy-3,5-diphenylphenyl)sulfonylpropanamide
PubChem CID19753038
Molecular FormulaC29H27NO4S
Molecular Weight485.61 g/mol
Exact Mass485.17
IUPAC NameN-(2,6-dimethylphenyl)-3-(4-hydroxy-3,5-diphenylphenyl)sulfonylpropanamide
SMILESCc1cccc(C)c1NC(=O)CCS(=O)(=O)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C29H27NO4S/c1-20-10-9-11-21(2)28(20)30-27(31)16-17-35(33,34)24-18-25(22-12-5-3-6-13-22)29(32)26(19-24)23-14-7-4-8-15-23/h3-15,18-19,32H,16-17H2,1-2H3,(H,30,31)
InChIKeyKDWJZMYLKVYNBB-UHFFFAOYSA-N
XLogP6.15
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.61
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-4-(4-hydroxy-3,5-diphenylphenyl)sulfanylbutanamide
CID 19753031
3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 26727449
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
CID 110419509
4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide
CID 41273173
N-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide
CID 71973311
N-(2,6-dimethylphenyl)-2-[methyl-(4-phenylphenyl)sulfonylamino]acetamide
CID 55908373
3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 18076702
3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
CID 17310097
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
N-(2,6-dimethylphenyl)-3-[[(3S)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl]sulfonyl]propanamide
CID 95090403

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(4-hydroxy-3,5-diphenylphenyl)sulfonylpropanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(4-hydroxy-3,5-diphenylphenyl)sulfonylpropanamide (CID 19753038) is N-(2,6-dimethylphenyl)-3-(4-hydroxy-3,5-diphenylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(4-hydroxy-3,5-diphenylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(4-hydroxy-3,5-diphenylphenyl)sulfonylpropanamide is Cc1cccc(C)c1NC(=O)CCS(=O)(=O)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(4-hydroxy-3,5-diphenylphenyl)sulfonylpropanamide?
The InChIKey is KDWJZMYLKVYNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO4S/c1-20-10-9-11-21(2)28(20)30-27(31)16-17-35(33,34)24-18-25(22-12-5-3-6-13-22)29(32)26(19-24)23-14-7-4-8-15-23/h3-15,18-19,32H,16-17H2,1-2H3,(H,30,31).
What are the key properties of N-(2,6-dimethylphenyl)-3-(4-hydroxy-3,5-diphenylphenyl)sulfonylpropanamide?
N-(2,6-dimethylphenyl)-3-(4-hydroxy-3,5-diphenylphenyl)sulfonylpropanamide has a molecular weight of 485.61 g/mol, XLogP of 6.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-(4-hydroxy-3,5-diphenylphenyl)sulfonylpropanamide is sourced from PubChem (CID 19753038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).