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

C21H26N2O4S — CID 1296104

IUPACN-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
SMILESCC(=O)c1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C21H26N2O4S/c1-15(24)17-6-5-7-18(14-17)22-20(25)13-10-16-8-11-19(12-9-16)28(26,27)23-21(2,3)4/h5-9,11-12,14,23H,10,13H2,1-4H3,(H,22,25)
InChIKeyMCECLQXBQKTLDV-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.54
Rot. Bonds7

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

N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide (PubChem CID 1296104) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
PubChem CID1296104
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
SMILESCC(=O)c1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C21H26N2O4S/c1-15(24)17-6-5-7-18(14-17)22-20(25)13-10-16-8-11-19(12-9-16)28(26,27)23-21(2,3)4/h5-9,11-12,14,23H,10,13H2,1-4H3,(H,22,25)
InChIKeyMCECLQXBQKTLDV-UHFFFAOYSA-N
XLogP3.54
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 126268267
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220931
N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9244621
3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 100796453
3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide
CID 4044394
3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide
CID 136818206
3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide
CID 126257708
N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylbutanamide
CID 1293342
N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3627107
N-(4-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 26701033
3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 99968168

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide (CID 1296104) is N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide is CC(=O)c1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide?
The InChIKey is MCECLQXBQKTLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15(24)17-6-5-7-18(14-17)22-20(25)13-10-16-8-11-19(12-9-16)28(26,27)23-21(2,3)4/h5-9,11-12,14,23H,10,13H2,1-4H3,(H,22,25).
What are the key properties of N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide?
N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide has a molecular weight of 402.52 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1296104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).