4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide

C27H31N3O4S — CID 17309261

IUPAC4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
SMILESCCC(CC)C(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H31N3O4S/c1-3-21(4-2)26(31)29-23-12-10-22(11-13-23)27(32)30-24-14-16-25(17-15-24)35(33,34)28-19-18-20-8-6-5-7-9-20/h5-17,21,28H,3-4,18-19H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyOQQWCXDPWSBKQC-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.83
Rot. Bonds11

About 4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide

4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide (PubChem CID 17309261) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is 4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
PubChem CID17309261
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC Name4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
SMILESCCC(CC)C(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H31N3O4S/c1-3-21(4-2)26(31)29-23-12-10-22(11-13-23)27(32)30-24-14-16-25(17-15-24)35(33,34)28-19-18-20-8-6-5-7-9-20/h5-17,21,28H,3-4,18-19H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyOQQWCXDPWSBKQC-UHFFFAOYSA-N
XLogP4.83
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428
4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 5049971
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4110983
4-ethoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3601253
4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4936114
4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4956301
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109061048
3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4288383
3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17149684
N-[4-(ethylsulfamoyl)phenyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119617
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
4-methyl-N-[[4-(2-phenylethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 5191397

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide (CID 17309261) is 4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide is CCC(CC)C(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The InChIKey is OQQWCXDPWSBKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-3-21(4-2)26(31)29-23-12-10-22(11-13-23)27(32)30-24-14-16-25(17-15-24)35(33,34)28-19-18-20-8-6-5-7-9-20/h5-17,21,28H,3-4,18-19H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide has a molecular weight of 493.63 g/mol, XLogP of 4.83, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 17309261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).