N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide

C19H25N3O3S — CID 109027685

IUPACN-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
SMILESCc1ccc(NC(=O)CCNCCc2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C19H25N3O3S/c1-14-3-8-18(15(2)13-14)22-19(23)10-12-21-11-9-16-4-6-17(7-5-16)26(20,24)25/h3-8,13,21H,9-12H2,1-2H3,(H,22,23)(H2,20,24,25)
InChIKeyFBJNWQGWYMPIII-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.11
Rot. Bonds8

About N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide

N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide (PubChem CID 109027685) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
PubChem CID109027685
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
SMILESCc1ccc(NC(=O)CCNCCc2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C19H25N3O3S/c1-14-3-8-18(15(2)13-14)22-19(23)10-12-21-11-9-16-4-6-17(7-5-16)26(20,24)25/h3-8,13,21H,9-12H2,1-2H3,(H,22,23)(H2,20,24,25)
InChIKeyFBJNWQGWYMPIII-UHFFFAOYSA-N
XLogP2.11
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109019770
N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027692
N-(2,4-dimethylphenyl)-3-(propylamino)propanamide
CID 109011557
3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027627
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide
CID 167944439
N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 109028102
N-(4-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025153
N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002577
N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide
CID 4524701
N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025394
N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027527

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide (CID 109027685) is N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide is Cc1ccc(NC(=O)CCNCCc2ccc(S(N)(=O)=O)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide?
The InChIKey is FBJNWQGWYMPIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-3-8-18(15(2)13-14)22-19(23)10-12-21-11-9-16-4-6-17(7-5-16)26(20,24)25/h3-8,13,21H,9-12H2,1-2H3,(H,22,23)(H2,20,24,25).
What are the key properties of N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide?
N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide has a molecular weight of 375.49 g/mol, XLogP of 2.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide is sourced from PubChem (CID 109027685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).