3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide

C25H28N2O4S — CID 4044394

IUPAC3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-25(2,3)27-32(29,30)23-16-9-19(10-17-23)11-18-24(28)26-20-12-14-22(15-13-20)31-21-7-5-4-6-8-21/h4-10,12-17,27H,11,18H2,1-3H3,(H,26,28)
InChIKeyCPSTZVZOXUKYQX-UHFFFAOYSA-N
MW452.58 g/mol
LogP5.13
Rot. Bonds8

About 3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide

3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide (PubChem CID 4044394) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide
PubChem CID4044394
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-25(2,3)27-32(29,30)23-16-9-19(10-17-23)11-18-24(28)26-20-12-14-22(15-13-20)31-21-7-5-4-6-8-21/h4-10,12-17,27H,11,18H2,1-3H3,(H,26,28)
InChIKeyCPSTZVZOXUKYQX-UHFFFAOYSA-N
XLogP5.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylbutanamide
CID 1293342
N-[4-(3-fluorophenoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 52706285
N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
CID 4992549
N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 1296104
N-[4-(4-ethoxyphenoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55363172
N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 126268267
3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide
CID 27650136
methyl 4-[4-(tert-butylsulfamoyl)anilino]-4-oxobutanoate
CID 5199846
N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 24575363
N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930
3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 99968168
N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033

Frequently Asked Questions

What is the IUPAC name of 3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide (CID 4044394) is 3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide is CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide?
The InChIKey is CPSTZVZOXUKYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-25(2,3)27-32(29,30)23-16-9-19(10-17-23)11-18-24(28)26-20-12-14-22(15-13-20)31-21-7-5-4-6-8-21/h4-10,12-17,27H,11,18H2,1-3H3,(H,26,28).
What are the key properties of 3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide?
3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide has a molecular weight of 452.58 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 4044394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).