(4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone

C14H19NO5S — CID 110631332

IUPAC(4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCOc1ccc(C(=O)N2CCOC(C)C2)cc1S(C)(=O)=O
InChIInChI=1S/C14H19NO5S/c1-10-9-15(6-7-20-10)14(16)11-4-5-12(19-2)13(8-11)21(3,17)18/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyVWAPTPZKRHTTPB-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.96
Rot. Bonds3

About (4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone

(4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 110631332) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is (4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone
PubChem CID110631332
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name(4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCOc1ccc(C(=O)N2CCOC(C)C2)cc1S(C)(=O)=O
InChIInChI=1S/C14H19NO5S/c1-10-9-15(6-7-20-10)14(16)11-4-5-12(19-2)13(8-11)21(3,17)18/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyVWAPTPZKRHTTPB-UHFFFAOYSA-N
XLogP0.96
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone 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-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone
CID 16775016
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methoxy-3-methylsulfonylphenyl)methanone
CID 110633915
4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
CID 119239861
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 95285624
N,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 110292445
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate
CID 115533204
(3,5-dimethoxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51710349
(3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647255
N-(2-methoxyphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 46687768
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 46510193
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone (CID 110631332) is (4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone is COc1ccc(C(=O)N2CCOC(C)C2)cc1S(C)(=O)=O.
What is the InChIKey of (4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is VWAPTPZKRHTTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-10-9-15(6-7-20-10)14(16)11-4-5-12(19-2)13(8-11)21(3,17)18/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of (4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone?
(4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 313.38 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 110631332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).