4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide

C26H28N2O4S — CID 24547843

IUPAC4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide
SMILESCCCC(NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1)c1ccccc1
InChIInChI=1S/C26H28N2O4S/c1-3-7-25(22-8-5-4-6-9-22)28-26(30)23-12-10-20(11-13-23)18-27-33(31,32)24-16-14-21(15-17-24)19(2)29/h4-6,8-17,25,27H,3,7,18H2,1-2H3,(H,28,30)
InChIKeyNEPDLRSHKMMVRB-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.64
Rot. Bonds10

About 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide (PubChem CID 24547843) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide
PubChem CID24547843
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide
SMILESCCCC(NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1)c1ccccc1
InChIInChI=1S/C26H28N2O4S/c1-3-7-25(22-8-5-4-6-9-22)28-26(30)23-12-10-20(11-13-23)18-27-33(31,32)24-16-14-21(15-17-24)19(2)29/h4-6,8-17,25,27H,3,7,18H2,1-2H3,(H,28,30)
InChIKeyNEPDLRSHKMMVRB-UHFFFAOYSA-N
XLogP4.64
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide
CID 24547890
N-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 24547891
N-[(1R)-2-hydroxy-1-phenylethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 51808937
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]benzamide
CID 41138201
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride
CID 120508926
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 24575206
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]benzamide
CID 41139381
3-phenyl-3-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoyl]amino]propanoic acid
CID 136576688
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide
CID 29373491
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide
CID 30858865

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide?
The IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide (CID 24547843) is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide.
What is the SMILES notation for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide?
The canonical SMILES for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide is CCCC(NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide?
The InChIKey is NEPDLRSHKMMVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-3-7-25(22-8-5-4-6-9-22)28-26(30)23-12-10-20(11-13-23)18-27-33(31,32)24-16-14-21(15-17-24)19(2)29/h4-6,8-17,25,27H,3,7,18H2,1-2H3,(H,28,30).
What are the key properties of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide?
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide has a molecular weight of 464.59 g/mol, XLogP of 4.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide is sourced from PubChem (CID 24547843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).