4-(pentanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C20H25N3O4S — CID 2205262

IUPAC4-(pentanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-2-3-4-19(24)23-17-9-7-16(8-10-17)20(25)22-14-13-15-5-11-18(12-6-15)28(21,26)27/h5-12H,2-4,13-14H2,1H3,(H,22,25)(H,23,24)(H2,21,26,27)
InChIKeyBKFZHKZGVYUUTD-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.44
Rot. Bonds9

About 4-(pentanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

4-(pentanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 2205262) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-(pentanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(pentanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID2205262
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name4-(pentanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-2-3-4-19(24)23-17-9-7-16(8-10-17)20(25)22-14-13-15-5-11-18(12-6-15)28(21,26)27/h5-12H,2-4,13-14H2,1H3,(H,22,25)(H,23,24)(H2,21,26,27)
InChIKeyBKFZHKZGVYUUTD-UHFFFAOYSA-N
XLogP2.44
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
N-Benzyl-N-butyl-4-(N-phenylsulfamoyl)benzamide
CID 137796294
USP30 inhibitor 18
CID 142474792
N-(4-(Aminosulfonyl)phenyl)-4-tert-butylbenzamide
CID 315810
N,N-Dimethyl-2-aminosulfonyl-4-formamidobenzamide
CID 15240549
N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
4-tert-butyl-N-(3-sulfamoylphenyl)benzamide
CID 2812911
L-750034
CID 11743533
4-(3-(4-Acetylphenyl)ureido)benzenesulfonamide
CID 27870796
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}-3-phenylpropanamide
CID 2812928

Frequently Asked Questions

What is the IUPAC name of 4-(pentanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-(pentanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 2205262) is 4-(pentanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(pentanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(pentanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is CCCCC(=O)Nc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-(pentanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is BKFZHKZGVYUUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-2-3-4-19(24)23-17-9-7-16(8-10-17)20(25)22-14-13-15-5-11-18(12-6-15)28(21,26)27/h5-12H,2-4,13-14H2,1H3,(H,22,25)(H,23,24)(H2,21,26,27).
What are the key properties of 4-(pentanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
4-(pentanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.44, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 2205262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).