4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide

C19H23N3O5S — CID 56546010

IUPAC4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide
SMILESCN(CCCNC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23N3O5S/c1-22(28(2,25)26)13-3-12-21-19(24)15-6-10-17(11-7-15)27-16-8-4-14(5-9-16)18(20)23/h4-11H,3,12-13H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyXZJBFOQPLANXHS-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.59
Rot. Bonds9

About 4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide

4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide (PubChem CID 56546010) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide
PubChem CID56546010
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide
SMILESCN(CCCNC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23N3O5S/c1-22(28(2,25)26)13-3-12-21-19(24)15-6-10-17(11-7-15)27-16-8-4-14(5-9-16)18(20)23/h4-11H,3,12-13H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyXZJBFOQPLANXHS-UHFFFAOYSA-N
XLogP1.59
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]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

4-[4-[3-[ethylsulfonyl(methyl)amino]propylcarbamoyl]phenoxy]benzamide
CID 56545981
ethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate
CID 46450279
4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide
CID 14959961
3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide
CID 46434078
4-[[4-(4-carbamoylphenoxy)benzoyl]amino]-N-propylbenzamide
CID 56549078
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684
4-[4-(hydrazinecarbonyl)phenoxy]benzamide
CID 145084998
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide
CID 17296274
4-(4-carbamoylphenoxy)benzamide
CID 156597124
ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide
CID 143035952

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide (CID 56546010) is 4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide is CN(CCCNC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide?
The InChIKey is XZJBFOQPLANXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-22(28(2,25)26)13-3-12-21-19(24)15-6-10-17(11-7-15)27-16-8-4-14(5-9-16)18(20)23/h4-11H,3,12-13H2,1-2H3,(H2,20,23)(H,21,24).
What are the key properties of 4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide?
4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide has a molecular weight of 405.48 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56546010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).