N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide

C24H33N3O4S — CID 17312368

IUPACN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)c1
InChIInChI=1S/C24H33N3O4S/c1-6-23(28)25-21-9-7-8-19(14-21)24(29)26-20-10-12-22(13-11-20)32(30,31)27(15-17(2)3)16-18(4)5/h7-14,17-18H,6,15-16H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyQZRQJDYRGAQFMP-UHFFFAOYSA-N
MW459.61 g/mol
LogP4.59
Rot. Bonds10

About N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide

N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide (PubChem CID 17312368) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide
PubChem CID17312368
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC NameN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)c1
InChIInChI=1S/C24H33N3O4S/c1-6-23(28)25-21-9-7-8-19(14-21)24(29)26-20-10-12-22(13-11-20)32(30,31)27(15-17(2)3)16-18(4)5/h7-14,17-18H,6,15-16H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyQZRQJDYRGAQFMP-UHFFFAOYSA-N
XLogP4.59
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide
CID 17309567
3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 6493247
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide
CID 17311636
N-[4-(diethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17142416
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 71464436
(2S)-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 40932274
3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide
CID 4121831
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 17311380
N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 3643564
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 18590086

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide?
The IUPAC name of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide (CID 17312368) is N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide.
What is the SMILES notation for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide?
The canonical SMILES for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)c1.
What is the InChIKey of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide?
The InChIKey is QZRQJDYRGAQFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-6-23(28)25-21-9-7-8-19(14-21)24(29)26-20-10-12-22(13-11-20)32(30,31)27(15-17(2)3)16-18(4)5/h7-14,17-18H,6,15-16H2,1-5H3,(H,25,28)(H,26,29).
What are the key properties of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide?
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide has a molecular weight of 459.61 g/mol, XLogP of 4.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide is sourced from PubChem (CID 17312368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).