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

C20H25N3O4S — CID 100524291

IUPAC3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1N(C)S(C)(=O)=O
InChIInChI=1S/C20H25N3O4S/c1-15-14-16(4-9-19(15)22(2)28(3,25)26)20(24)21-17-5-7-18(8-6-17)23-10-12-27-13-11-23/h4-9,14H,10-13H2,1-3H3,(H,21,24)
InChIKeyPCFQZEKBUPNVJT-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.48
Rot. Bonds5

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

3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 100524291) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID100524291
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1N(C)S(C)(=O)=O
InChIInChI=1S/C20H25N3O4S/c1-15-14-16(4-9-19(15)22(2)28(3,25)26)20(24)21-17-5-7-18(8-6-17)23-10-12-27-13-11-23/h4-9,14H,10-13H2,1-3H3,(H,21,24)
InChIKeyPCFQZEKBUPNVJT-UHFFFAOYSA-N
XLogP2.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide 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-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100507663
3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524251
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide
CID 21173939
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269159
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870
4-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524767
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
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100520064
4-[methylsulfonyl(prop-2-enyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100519859
3,4-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6957323

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide (CID 100524291) is 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide is Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1N(C)S(C)(=O)=O.
What is the InChIKey of 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is PCFQZEKBUPNVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-15-14-16(4-9-19(15)22(2)28(3,25)26)20(24)21-17-5-7-18(8-6-17)23-10-12-27-13-11-23/h4-9,14H,10-13H2,1-3H3,(H,21,24).
What are the key properties of 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide?
3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 100524291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).