1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide

C20H23N3O3S — CID 78862275

IUPAC1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C20H23N3O3S/c21-13-19-2-1-3-20(12-19)16-27(24,25)22-14-17-4-6-18(7-5-17)15-23-8-10-26-11-9-23/h1-7,12,22H,8-11,14-16H2
InChIKeyZYNKZFLKEJZSBZ-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.01
Rot. Bonds7

About 1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide

1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide (PubChem CID 78862275) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide
PubChem CID78862275
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C20H23N3O3S/c21-13-19-2-1-3-20(12-19)16-27(24,25)22-14-17-4-6-18(7-5-17)15-23-8-10-26-11-9-23/h1-7,12,22H,8-11,14-16H2
InChIKeyZYNKZFLKEJZSBZ-UHFFFAOYSA-N
XLogP2.01
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide 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-(2-morpholin-4-ylethylsulfonylmethyl)benzonitrile
CID 82178628
3-(3-morpholin-4-ylpropyl)benzonitrile
CID 86190356
1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide
CID 87032785
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
N-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide
CID 55062176
3-[(4-phenylpiperazin-1-yl)methyl]benzonitrile
CID 3846774
3-[(3-oxomorpholin-4-yl)methyl]benzonitrile
CID 79468539
3-[[2-(2-morpholin-4-ylethyl)-3-oxo-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]methyl]benzonitrile
CID 53372050
3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 55815977
3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile
CID 60695641
4-[(3-cyanophenyl)methyl]piperazine-1-carboxylic acid
CID 18662881
4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile
CID 24724224

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide (CID 78862275) is 1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide is N#Cc1cccc(CS(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide?
The InChIKey is ZYNKZFLKEJZSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c21-13-19-2-1-3-20(12-19)16-27(24,25)22-14-17-4-6-18(7-5-17)15-23-8-10-26-11-9-23/h1-7,12,22H,8-11,14-16H2.
What are the key properties of 1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide?
1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 78862275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).