N-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide

C23H33N3O3S — CID 70839201

IUPACN-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
SMILESCC1CN(c2ccc(NCc3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2)CC(C)O1
InChIInChI=1S/C23H33N3O3S/c1-17-15-26(16-18(2)29-17)22-12-10-20(11-13-22)24-14-19-6-8-21(9-7-19)25-30(27,28)23(3,4)5/h6-13,17-18,24-25H,14-16H2,1-5H3
InChIKeyGKKSEFRGUMZHJF-UHFFFAOYSA-N
MW431.60 g/mol
LogP4.45
Rot. Bonds6

About N-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide

N-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide (PubChem CID 70839201) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is N-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
PubChem CID70839201
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC NameN-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
SMILESCC1CN(c2ccc(NCc3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2)CC(C)O1
InChIInChI=1S/C23H33N3O3S/c1-17-15-26(16-18(2)29-17)22-12-10-20(11-13-22)24-14-19-6-8-21(9-7-19)25-30(27,28)23(3,4)5/h6-13,17-18,24-25H,14-16H2,1-5H3
InChIKeyGKKSEFRGUMZHJF-UHFFFAOYSA-N
XLogP4.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 118376755
N-[4-[[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 118376615
N-[4-[[4-(2,6-dimethylmorpholin-4-yl)-2-fluoro-3-methylanilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939169
N-[4-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-ethyl-2-fluoroanilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 118376735
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide
CID 7068957
N-[4-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 118376519
N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70938934
4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide
CID 20630033
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine
CID 93007627
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 49190772
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline
CID 110826197
(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)phenyl]-2,6-dimethylmorpholine
CID 59546095

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide (CID 70839201) is N-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide is CC1CN(c2ccc(NCc3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2)CC(C)O1.
What is the InChIKey of N-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide?
The InChIKey is GKKSEFRGUMZHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-17-15-26(16-18(2)29-17)22-12-10-20(11-13-22)24-14-19-6-8-21(9-7-19)25-30(27,28)23(3,4)5/h6-13,17-18,24-25H,14-16H2,1-5H3.
What are the key properties of N-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide?
N-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide has a molecular weight of 431.60 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 70839201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).