N'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide

C18H18N4O4S — CID 108949699

IUPACN'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
SMILESN#Cc1cccc(NC(=O)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H18N4O4S/c19-12-14-2-1-3-15(10-14)22-18(24)11-17(23)21-9-8-13-4-6-16(7-5-13)27(20,25)26/h1-7,10H,8-9,11H2,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyCZWFCNPBYQNVOX-UHFFFAOYSA-N
MW386.43 g/mol
LogP0.89
Rot. Bonds7

About N'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide

N'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide (PubChem CID 108949699) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
PubChem CID108949699
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
SMILESN#Cc1cccc(NC(=O)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H18N4O4S/c19-12-14-2-1-3-15(10-14)22-18(24)11-17(23)21-9-8-13-4-6-16(7-5-13)27(20,25)26/h1-7,10H,8-9,11H2,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyCZWFCNPBYQNVOX-UHFFFAOYSA-N
XLogP0.89
TPSA142.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948356
N'-(3-cyanophenyl)-N-(3-methylbutyl)propanediamide
CID 108951873
N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide
CID 108999966
2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 55753204
1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1203825
N-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002591
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide
CID 16782050
N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005123
1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 3767794
2-(2-cyanophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2714604
1-(3-methylsulfanylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25041397

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
The IUPAC name of N'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide (CID 108949699) is N'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide.
What is the SMILES notation for N'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
The canonical SMILES for N'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide is N#Cc1cccc(NC(=O)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of N'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
The InChIKey is CZWFCNPBYQNVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c19-12-14-2-1-3-15(10-14)22-18(24)11-17(23)21-9-8-13-4-6-16(7-5-13)27(20,25)26/h1-7,10H,8-9,11H2,(H,21,23)(H,22,24)(H2,20,25,26).
What are the key properties of N'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
N'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide has a molecular weight of 386.43 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide is sourced from PubChem (CID 108949699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).