N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide

C19H23N3O4S — CID 108945727

IUPACN'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
SMILESCc1ccc(CNC(=O)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-14-2-4-16(5-3-14)13-22-19(24)12-18(23)21-11-10-15-6-8-17(9-7-15)27(20,25)26/h2-9H,10-13H2,1H3,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyFIDXCCCGFCCRQP-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.01
Rot. Bonds8

About N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide

N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide (PubChem CID 108945727) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
PubChem CID108945727
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
SMILESCc1ccc(CNC(=O)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-14-2-4-16(5-3-14)13-22-19(24)12-18(23)21-11-10-15-6-8-17(9-7-15)27(20,25)26/h2-9H,10-13H2,1H3,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyFIDXCCCGFCCRQP-UHFFFAOYSA-N
XLogP1.01
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109019770
2-methyl-1-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111245416
3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027623
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24537163
2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24632921
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 40778059
3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 50971111
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108874657
3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108789911
1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 113198226
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide
CID 33426034

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
The IUPAC name of N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide (CID 108945727) is N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide.
What is the SMILES notation for N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
The canonical SMILES for N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide is Cc1ccc(CNC(=O)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
The InChIKey is FIDXCCCGFCCRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-14-2-4-16(5-3-14)13-22-19(24)12-18(23)21-11-10-15-6-8-17(9-7-15)27(20,25)26/h2-9H,10-13H2,1H3,(H,21,23)(H,22,24)(H2,20,25,26).
What are the key properties of N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide has a molecular weight of 389.48 g/mol, XLogP of 1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide is sourced from PubChem (CID 108945727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).