N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide

C21H28N2O5S — CID 26878614

IUPACN-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)NCC)cc2)cc1OCCC
InChIInChI=1S/C21H28N2O5S/c1-4-13-27-19-12-9-17(15-20(19)28-14-5-2)23-21(24)16-7-10-18(11-8-16)29(25,26)22-6-3/h7-12,15,22H,4-6,13-14H2,1-3H3,(H,23,24)
InChIKeyMIBROTAZZIGCKA-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.81
Rot. Bonds11

About N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide

N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide (PubChem CID 26878614) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide
PubChem CID26878614
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)NCC)cc2)cc1OCCC
InChIInChI=1S/C21H28N2O5S/c1-4-13-27-19-12-9-17(15-20(19)28-14-5-2)23-21(24)16-7-10-18(11-8-16)29(25,26)22-6-3/h7-12,15,22H,4-6,13-14H2,1-3H3,(H,23,24)
InChIKeyMIBROTAZZIGCKA-UHFFFAOYSA-N
XLogP3.81
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxy-3-methoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 9102814
N-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 87047072
4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
CID 119265999
N-(3,4-dimethylphenyl)-4-(ethylsulfamoyl)benzamide
CID 9416096
4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide
CID 29216719
N-[4-(acetylsulfamoyl)phenyl]-3-methoxy-4-propoxybenzamide
CID 4883352
N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 141154638
N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
CID 7924147
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634
4-(ethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 9411925
N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 9494456
4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 9441790

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide?
The IUPAC name of N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide (CID 26878614) is N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide is CCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)NCC)cc2)cc1OCCC.
What is the InChIKey of N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide?
The InChIKey is MIBROTAZZIGCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-4-13-27-19-12-9-17(15-20(19)28-14-5-2)23-21(24)16-7-10-18(11-8-16)29(25,26)22-6-3/h7-12,15,22H,4-6,13-14H2,1-3H3,(H,23,24).
What are the key properties of N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide?
N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide has a molecular weight of 420.53 g/mol, XLogP of 3.81, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 26878614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).