N-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline

C21H28N2O3S — CID 51120749

IUPACN-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline
SMILESCCN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C21H28N2O3S/c1-4-22(20-13-17(2)12-18(3)14-20)16-19-6-5-7-21(15-19)27(24,25)23-8-10-26-11-9-23/h5-7,12-15H,4,8-11,16H2,1-3H3
InChIKeyVZOBQYOIXHRHOX-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.35
Rot. Bonds6

About N-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline

N-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline (PubChem CID 51120749) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline
PubChem CID51120749
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline
SMILESCCN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C21H28N2O3S/c1-4-22(20-13-17(2)12-18(3)14-20)16-19-6-5-7-21(15-19)27(24,25)23-8-10-26-11-9-23/h5-7,12-15H,4,8-11,16H2,1-3H3
InChIKeyVZOBQYOIXHRHOX-UHFFFAOYSA-N
XLogP3.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine
CID 71891524
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine
CID 30137390
4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine
CID 7458388
3-[benzyl(ethyl)amino]-5-methylbenzenesulfonic acid
CID 101317585
N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine
CID 18093981
4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine
CID 7465712
4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine
CID 9354119
(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylbenzoate
CID 7696448
N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2665791
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307366
4-[3-[(3-methylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009339

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline?
The IUPAC name of N-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline (CID 51120749) is N-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline.
What is the SMILES notation for N-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline?
The canonical SMILES for N-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline is CCN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(C)cc(C)c1.
What is the InChIKey of N-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline?
The InChIKey is VZOBQYOIXHRHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-22(20-13-17(2)12-18(3)14-20)16-19-6-5-7-21(15-19)27(24,25)23-8-10-26-11-9-23/h5-7,12-15H,4,8-11,16H2,1-3H3.
What are the key properties of N-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline?
N-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline has a molecular weight of 388.53 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]aniline is sourced from PubChem (CID 51120749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).