3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide

C22H30N2O4S — CID 55957065

IUPAC3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N(C)CCCOc2ccccc2C)cc1C
InChIInChI=1S/C22H30N2O4S/c1-17-10-11-20(16-19(17)3)29(26,27)23-13-12-22(25)24(4)14-7-15-28-21-9-6-5-8-18(21)2/h5-6,8-11,16,23H,7,12-15H2,1-4H3
InChIKeyURISXPJSXUSCTK-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.21
Rot. Bonds10

About 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide

3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide (PubChem CID 55957065) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide
PubChem CID55957065
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N(C)CCCOc2ccccc2C)cc1C
InChIInChI=1S/C22H30N2O4S/c1-17-10-11-20(16-19(17)3)29(26,27)23-13-12-22(25)24(4)14-7-15-28-21-9-6-5-8-18(21)2/h5-6,8-11,16,23H,7,12-15H2,1-4H3
InChIKeyURISXPJSXUSCTK-UHFFFAOYSA-N
XLogP3.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 9368930
N-[2-(2,3-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100958
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 7972326
3-[methyl-[3-(naphthalen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 119232709
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 4807517
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide
CID 33172341
N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 60675961
3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 120609501
N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 55557770
N-[2-(2,5-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100856
N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 27567260

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide (CID 55957065) is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)N(C)CCCOc2ccccc2C)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide?
The InChIKey is URISXPJSXUSCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-17-10-11-20(16-19(17)3)29(26,27)23-13-12-22(25)24(4)14-7-15-28-21-9-6-5-8-18(21)2/h5-6,8-11,16,23H,7,12-15H2,1-4H3.
What are the key properties of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide?
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide has a molecular weight of 418.56 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide is sourced from PubChem (CID 55957065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).