4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline

C20H26N2O3S — CID 110826197

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15-4-6-18(7-5-15)12-21-19-8-10-20(11-9-19)26(23,24)22-13-16(2)25-17(3)14-22/h4-11,16-17,21H,12-14H2,1-3H3
InChIKeyFMORZDHTYZJBHD-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.41
Rot. Bonds5

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline (PubChem CID 110826197) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline
PubChem CID110826197
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15-4-6-18(7-5-15)12-21-19-8-10-20(11-9-19)26(23,24)22-13-16(2)25-17(3)14-22/h4-11,16-17,21H,12-14H2,1-3H3
InChIKeyFMORZDHTYZJBHD-UHFFFAOYSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(4-methylphenyl)methyl]benzamide
CID 8781280
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826196
4-[4-(bromomethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
CID 65482577
methyl 2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]acetate
CID 129488504
2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine
CID 17375832
(2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]sulfonylmorpholine
CID 157367793
2-(4-bromoanilino)-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 43015942
2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-phenylethanone
CID 110825143
2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
CID 3274124
4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369122
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 4810896
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
CID 788068

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline (CID 110826197) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline is Cc1ccc(CNc2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)cc1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline?
The InChIKey is FMORZDHTYZJBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15-4-6-18(7-5-15)12-21-19-8-10-20(11-9-19)26(23,24)22-13-16(2)25-17(3)14-22/h4-11,16-17,21H,12-14H2,1-3H3.
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline?
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline has a molecular weight of 374.51 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline is sourced from PubChem (CID 110826197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).