2,2-dimethyl-N-phenyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide

C19H23N3O4S — CID 108965001

IUPAC2,2-dimethyl-N-phenyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide
SMILESCC(C)(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H23N3O4S/c1-19(2,18(24)22-15-6-4-3-5-7-15)17(23)21-13-12-14-8-10-16(11-9-14)27(20,25)26/h3-11H,12-13H2,1-2H3,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyWCNGLTLJXLLPAA-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.66
Rot. Bonds7

About 2,2-dimethyl-N-phenyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide

2,2-dimethyl-N-phenyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide (PubChem CID 108965001) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2,2-dimethyl-N-phenyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-phenyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide
PubChem CID108965001
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2,2-dimethyl-N-phenyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide
SMILESCC(C)(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H23N3O4S/c1-19(2,18(24)22-15-6-4-3-5-7-15)17(23)21-13-12-14-8-10-16(11-9-14)27(20,25)26/h3-11H,12-13H2,1-2H3,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyWCNGLTLJXLLPAA-UHFFFAOYSA-N
XLogP1.66
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.66
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-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108958583
1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 110293756
N-(3,5-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963911
1-(2-methyl-2-phenylpropyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 35664316
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
N-phenyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide
CID 109193610
1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 2650232
N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108965059
1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108964178
N-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963883

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-phenyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
The IUPAC name of 2,2-dimethyl-N-phenyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide (CID 108965001) is 2,2-dimethyl-N-phenyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide.
What is the SMILES notation for 2,2-dimethyl-N-phenyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
The canonical SMILES for 2,2-dimethyl-N-phenyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide is CC(C)(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-phenyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
The InChIKey is WCNGLTLJXLLPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-19(2,18(24)22-15-6-4-3-5-7-15)17(23)21-13-12-14-8-10-16(11-9-14)27(20,25)26/h3-11H,12-13H2,1-2H3,(H,21,23)(H,22,24)(H2,20,25,26).
What are the key properties of 2,2-dimethyl-N-phenyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
2,2-dimethyl-N-phenyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide has a molecular weight of 389.48 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-phenyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide is sourced from PubChem (CID 108965001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).