N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide

C20H26N2O5S — CID 9218315

IUPACN-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O5S/c1-5-6-13-22(2)28(24,25)17-10-8-16(9-11-17)21-20(23)15-7-12-18(26-3)19(14-15)27-4/h7-12,14H,5-6,13H2,1-4H3,(H,21,23)
InChIKeyYGAXELBCCZVPOV-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.38
Rot. Bonds9

About N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide

N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 9218315) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
PubChem CID9218315
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O5S/c1-5-6-13-22(2)28(24,25)17-10-8-16(9-11-17)21-20(23)15-7-12-18(26-3)19(14-15)27-4/h7-12,14H,5-6,13H2,1-4H3,(H,21,23)
InChIKeyYGAXELBCCZVPOV-UHFFFAOYSA-N
XLogP3.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide
CID 7948730
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011474
4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219667
4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4138922
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
CID 8623651
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide
CID 7948721
N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7733390
N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675
3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110602545
N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide
CID 109061485
4-[butyl(methyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5054216

Frequently Asked Questions

What is the IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide (CID 9218315) is N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide is CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is YGAXELBCCZVPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-5-6-13-22(2)28(24,25)17-10-8-16(9-11-17)21-20(23)15-7-12-18(26-3)19(14-15)27-4/h7-12,14H,5-6,13H2,1-4H3,(H,21,23).
What are the key properties of N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide?
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 406.50 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 9218315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).