N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide

C20H24N2O4S — CID 109061485

IUPACN-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C20H24N2O4S/c1-4-5-13-22(3)27(25,26)19-11-9-16(10-12-19)20(24)21-18-8-6-7-17(14-18)15(2)23/h6-12,14H,4-5,13H2,1-3H3,(H,21,24)
InChIKeyVHQLJMKUMPTWFD-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.56
Rot. Bonds8

About N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide

N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide (PubChem CID 109061485) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide
PubChem CID109061485
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C20H24N2O4S/c1-4-5-13-22(3)27(25,26)19-11-9-16(10-12-19)20(24)21-18-8-6-7-17(14-18)15(2)23/h6-12,14H,4-5,13H2,1-3H3,(H,21,24)
InChIKeyVHQLJMKUMPTWFD-UHFFFAOYSA-N
XLogP3.56
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
CID 8623651
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide
CID 23797022
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide
CID 30844560
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide
CID 7948721
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
CID 9218315
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011474
3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide
CID 4121831
N-(3-hydroxyphenyl)-3-[methyl(propyl)sulfamoyl]benzamide
CID 27241907
3-[[3-(dibutylsulfamoyl)benzoyl]amino]benzoic acid
CID 4240708
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 2676546
4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 109058845

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide (CID 109061485) is N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide is CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide?
The InChIKey is VHQLJMKUMPTWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-4-5-13-22(3)27(25,26)19-11-9-16(10-12-19)20(24)21-18-8-6-7-17(14-18)15(2)23/h6-12,14H,4-5,13H2,1-3H3,(H,21,24).
What are the key properties of N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide?
N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 109061485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).