N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide

C19H23N3O4S — CID 21173939

IUPACN-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide
SMILESCN(c1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1)S(C)(=O)=O
InChIInChI=1S/C19H23N3O4S/c1-21(27(2,24)25)18-5-3-4-16(14-18)20-19(23)15-6-8-17(9-7-15)22-10-12-26-13-11-22/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyZGFVWPLWGQTNIZ-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.17
Rot. Bonds5

About N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide

N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide (PubChem CID 21173939) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide
PubChem CID21173939
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide
SMILESCN(c1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1)S(C)(=O)=O
InChIInChI=1S/C19H23N3O4S/c1-21(27(2,24)25)18-5-3-4-16(14-18)20-19(23)15-6-8-17(9-7-15)22-10-12-26-13-11-22/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyZGFVWPLWGQTNIZ-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

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Related Compounds

3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524251
3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524291
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 55978304
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1319509
4-[methylsulfonyl(prop-2-enyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100519859
3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 100624777
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide
CID 55951793
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 30388395

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide (CID 21173939) is N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide is CN(c1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide?
The InChIKey is ZGFVWPLWGQTNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-21(27(2,24)25)18-5-3-4-16(14-18)20-19(23)15-6-8-17(9-7-15)22-10-12-26-13-11-22/h3-9,14H,10-13H2,1-2H3,(H,20,23).
What are the key properties of N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide?
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide 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 N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 21173939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).