3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide

C19H23N3O4S — CID 100524251

IUPAC3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCN(c1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1)S(C)(=O)=O
InChIInChI=1S/C19H23N3O4S/c1-21(27(2,24)25)18-5-3-4-15(14-18)19(23)20-16-6-8-17(9-7-16)22-10-12-26-13-11-22/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyYBRAREDXJNPXFX-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.17
Rot. Bonds5

About 3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide

3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 100524251) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID100524251
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCN(c1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1)S(C)(=O)=O
InChIInChI=1S/C19H23N3O4S/c1-21(27(2,24)25)18-5-3-4-15(14-18)19(23)20-16-6-8-17(9-7-16)22-10-12-26-13-11-22/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyYBRAREDXJNPXFX-UHFFFAOYSA-N
XLogP2.17
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
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-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide
CID 21173939
3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524291
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
N-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26639375
3-(dimethylamino)-N-(2,4-dimorpholin-4-ylphenyl)benzamide
CID 26072175
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870
3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100507663
4-[methylsulfonyl(prop-2-enyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100519859
N-(4-morpholin-4-ylphenyl)-4-[3-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]-1,3-thiazole-2-carboxamide
CID 25165292
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide
CID 117093174

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide (CID 100524251) is 3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide is CN(c1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1)S(C)(=O)=O.
What is the InChIKey of 3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is YBRAREDXJNPXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-21(27(2,24)25)18-5-3-4-15(14-18)19(23)20-16-6-8-17(9-7-16)22-10-12-26-13-11-22/h3-9,14H,10-13H2,1-2H3,(H,20,23).
What are the key properties of 3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide?
3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 389.48 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 100524251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).