3-(diethylsulfamoyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide

C21H26N4O4S — CID 55540186

IUPAC3-(diethylsulfamoyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C21H26N4O4S/c1-4-14-22-21(27)24-18-12-10-17(11-13-18)23-20(26)16-8-7-9-19(15-16)30(28,29)25(5-2)6-3/h4,7-13,15H,1,5-6,14H2,2-3H3,(H,23,26)(H2,22,24,27)
InChIKeyGGTVYNDTXXFVHH-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.28
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide

3-(diethylsulfamoyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide (PubChem CID 55540186) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide
PubChem CID55540186
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name3-(diethylsulfamoyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C21H26N4O4S/c1-4-14-22-21(27)24-18-12-10-17(11-13-18)23-20(26)16-8-7-9-19(15-16)30(28,29)25(5-2)6-3/h4,7-13,15H,1,5-6,14H2,2-3H3,(H,23,26)(H2,22,24,27)
InChIKeyGGTVYNDTXXFVHH-UHFFFAOYSA-N
XLogP3.28
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(diethylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 2684396
N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 3643564
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
3-(diethylsulfamoyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 2326018
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4800184
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
N-[4-(diethylsulfamoyl)phenyl]-3-ethoxybenzamide
CID 4957423
N-[4-(diethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17142416
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide (CID 55540186) is 3-(diethylsulfamoyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide is C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cc1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide?
The InChIKey is GGTVYNDTXXFVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-4-14-22-21(27)24-18-12-10-17(11-13-18)23-20(26)16-8-7-9-19(15-16)30(28,29)25(5-2)6-3/h4,7-13,15H,1,5-6,14H2,2-3H3,(H,23,26)(H2,22,24,27).
What are the key properties of 3-(diethylsulfamoyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide?
3-(diethylsulfamoyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide has a molecular weight of 430.53 g/mol, XLogP of 3.28, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 55540186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).