N-[2-[benzyl(ethyl)sulfamoyl]ethyl]-2,4-dimethoxybenzamide

C20H26N2O5S — CID 7618507

IUPACN-[2-[benzyl(ethyl)sulfamoyl]ethyl]-2,4-dimethoxybenzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)CCNC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-4-22(15-16-8-6-5-7-9-16)28(24,25)13-12-21-20(23)18-11-10-17(26-2)14-19(18)27-3/h5-11,14H,4,12-13,15H2,1-3H3,(H,21,23)
InChIKeyMFDAZEDGCXXXDC-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.29
Rot. Bonds10

About N-[2-[benzyl(ethyl)sulfamoyl]ethyl]-2,4-dimethoxybenzamide

N-[2-[benzyl(ethyl)sulfamoyl]ethyl]-2,4-dimethoxybenzamide (PubChem CID 7618507) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[2-[benzyl(ethyl)sulfamoyl]ethyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(ethyl)sulfamoyl]ethyl]-2,4-dimethoxybenzamide
PubChem CID7618507
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[2-[benzyl(ethyl)sulfamoyl]ethyl]-2,4-dimethoxybenzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)CCNC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-4-22(15-16-8-6-5-7-9-16)28(24,25)13-12-21-20(23)18-11-10-17(26-2)14-19(18)27-3/h5-11,14H,4,12-13,15H2,1-3H3,(H,21,23)
InChIKeyMFDAZEDGCXXXDC-UHFFFAOYSA-N
XLogP2.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide
CID 16881045
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide
CID 3662059
N-benzyl-1-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]-N-methyltriazole-4-carboxamide
CID 26349069
N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide
CID 110410492
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
N-[3-(ethylamino)propyl]-2,4-dimethoxybenzamide
CID 43601745
N-ethyl-2,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 54790307
4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid
CID 45347543

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(ethyl)sulfamoyl]ethyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[2-[benzyl(ethyl)sulfamoyl]ethyl]-2,4-dimethoxybenzamide (CID 7618507) is N-[2-[benzyl(ethyl)sulfamoyl]ethyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[benzyl(ethyl)sulfamoyl]ethyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[benzyl(ethyl)sulfamoyl]ethyl]-2,4-dimethoxybenzamide is CCN(Cc1ccccc1)S(=O)(=O)CCNC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of N-[2-[benzyl(ethyl)sulfamoyl]ethyl]-2,4-dimethoxybenzamide?
The InChIKey is MFDAZEDGCXXXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-4-22(15-16-8-6-5-7-9-16)28(24,25)13-12-21-20(23)18-11-10-17(26-2)14-19(18)27-3/h5-11,14H,4,12-13,15H2,1-3H3,(H,21,23).
What are the key properties of N-[2-[benzyl(ethyl)sulfamoyl]ethyl]-2,4-dimethoxybenzamide?
N-[2-[benzyl(ethyl)sulfamoyl]ethyl]-2,4-dimethoxybenzamide has a molecular weight of 406.50 g/mol, XLogP of 2.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(ethyl)sulfamoyl]ethyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 7618507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).