1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one

C23H22O4S — CID 2884181

IUPAC1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one
SMILESCOc1ccc(C(=O)CC(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H22O4S/c1-17-8-14-21(15-9-17)28(25,26)23(19-6-4-3-5-7-19)16-22(24)18-10-12-20(27-2)13-11-18/h3-15,23H,16H2,1-2H3
InChIKeyPTYGROSWVBZXOC-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.79
Rot. Bonds7

About 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one

1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one (PubChem CID 2884181) has the molecular formula C23H22O4S and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one
PubChem CID2884181
Molecular FormulaC23H22O4S
Molecular Weight394.49 g/mol
Exact Mass394.12
IUPAC Name1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one
SMILESCOc1ccc(C(=O)CC(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H22O4S/c1-17-8-14-21(15-9-17)28(25,26)23(19-6-4-3-5-7-19)16-22(24)18-10-12-20(27-2)13-11-18/h3-15,23H,16H2,1-2H3
InChIKeyPTYGROSWVBZXOC-UHFFFAOYSA-N
XLogP4.79
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzenesulfonyl)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 3135155
3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 2885001
(3S)-3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 1187637
3-(4-methylphenyl)sulfonyl-1-phenyl-3-(4-propoxyphenyl)propan-1-one
CID 23965199
(3S)-3-(benzenesulfonyl)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 1368123
3-(4-aminophenyl)sulfonyl-1,3-diphenylpropan-1-one
CID 69294859
2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
CID 16642172
1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-3-phenylpropan-1-one
CID 101439265
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
3-(4-methoxyphenyl)sulfonyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 22463264
N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide
CID 110315082
1-methoxy-4-(2-nitro-1-phenylethyl)sulfonylbenzene
CID 15312289

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one (CID 2884181) is 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one is COc1ccc(C(=O)CC(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one?
The InChIKey is PTYGROSWVBZXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4S/c1-17-8-14-21(15-9-17)28(25,26)23(19-6-4-3-5-7-19)16-22(24)18-10-12-20(27-2)13-11-18/h3-15,23H,16H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one?
1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one has a molecular weight of 394.49 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one is sourced from PubChem (CID 2884181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).