3-(4-methylsulfonylphenyl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one

C20H23NO4S — CID 100698965

IUPAC3-(4-methylsulfonylphenyl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one
SMILESCS(=O)(=O)c1ccc(CCC(=O)N2CCO[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C20H23NO4S/c1-26(23,24)18-10-7-16(8-11-18)9-12-20(22)21-13-14-25-19(15-21)17-5-3-2-4-6-17/h2-8,10-11,19H,9,12-15H2,1H3/t19-/m0/s1
InChIKeyNXFGKTBHDHDNBK-IBGZPJMESA-N
MW373.47 g/mol
LogP2.62
Rot. Bonds5

About 3-(4-methylsulfonylphenyl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one

3-(4-methylsulfonylphenyl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one (PubChem CID 100698965) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one
PubChem CID100698965
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name3-(4-methylsulfonylphenyl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one
SMILESCS(=O)(=O)c1ccc(CCC(=O)N2CCO[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C20H23NO4S/c1-26(23,24)18-10-7-16(8-11-18)9-12-20(22)21-13-14-25-19(15-21)17-5-3-2-4-6-17/h2-8,10-11,19H,9,12-15H2,1H3/t19-/m0/s1
InChIKeyNXFGKTBHDHDNBK-IBGZPJMESA-N
XLogP2.62
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[2-(4-Fluorophenyl)morpholin-4-yl]-2-methylsulfonylpropan-1-one
CID 45826682
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N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 47021337
N-(2-(3-fluorophenyl)-2-methoxyethyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 73168410
2-(2,4-Difluorophenyl)-1-[4-[[3-(4-methylsulfonylphenyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 172436054
4-[2-[4-[[3-(4-Methylsulfonylphenyl)phenyl]methoxy]piperidin-1-yl]-2-oxoethyl]benzonitrile
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4-[1-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]benzenesulfonyl fluoride
CID 177256782
N-(isochroman-3-ylmethyl)-N-methyl-3-(phenylsulfonyl)propanamide
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N-[(R)-2-methoxy-2-phenylbutyl][p-(isopropylsulfonyl)phenyl]acetamide
CID 97428604

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one?
The IUPAC name of 3-(4-methylsulfonylphenyl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one (CID 100698965) is 3-(4-methylsulfonylphenyl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one is CS(=O)(=O)c1ccc(CCC(=O)N2CCO[C@H](c3ccccc3)C2)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one?
The InChIKey is NXFGKTBHDHDNBK-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23NO4S/c1-26(23,24)18-10-7-16(8-11-18)9-12-20(22)21-13-14-25-19(15-21)17-5-3-2-4-6-17/h2-8,10-11,19H,9,12-15H2,1H3/t19-/m0/s1.
What are the key properties of 3-(4-methylsulfonylphenyl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one?
3-(4-methylsulfonylphenyl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one has a molecular weight of 373.47 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-1-[(2R)-2-phenylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 100698965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).