N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide

C19H25N3O3S — CID 109019770

IUPACN-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
SMILESCc1ccc(CNC(=O)CCNCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-15-2-4-17(5-3-15)14-22-19(23)11-13-21-12-10-16-6-8-18(9-7-16)26(20,24)25/h2-9,21H,10-14H2,1H3,(H,22,23)(H2,20,24,25)
InChIKeyMMJRRVDOIXZNLN-UHFFFAOYSA-N
MW375.49 g/mol
LogP1.48
Rot. Bonds9

About N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide

N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide (PubChem CID 109019770) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
PubChem CID109019770
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
SMILESCc1ccc(CNC(=O)CCNCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-15-2-4-17(5-3-15)14-22-19(23)11-13-21-12-10-16-6-8-18(9-7-16)26(20,24)25/h2-9,21H,10-14H2,1H3,(H,22,23)(H2,20,24,25)
InChIKeyMMJRRVDOIXZNLN-UHFFFAOYSA-N
XLogP1.48
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.48
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-fluorophenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109021026
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027623
N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027685
3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 50971111
3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108789911
3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60850763
N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027692
1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108874657
2-methyl-1-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111245416
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide
CID 33426034
3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027627

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide (CID 109019770) is N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide is Cc1ccc(CNC(=O)CCNCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide?
The InChIKey is MMJRRVDOIXZNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-15-2-4-17(5-3-15)14-22-19(23)11-13-21-12-10-16-6-8-18(9-7-16)26(20,24)25/h2-9,21H,10-14H2,1H3,(H,22,23)(H2,20,24,25).
What are the key properties of N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide?
N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide has a molecular weight of 375.49 g/mol, XLogP of 1.48, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide is sourced from PubChem (CID 109019770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).