N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide

C19H24N2O5S — CID 26851304

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1OCC
InChIInChI=1S/C19H24N2O5S/c1-3-25-17-10-5-14(13-18(17)26-4-2)11-12-21-19(22)15-6-8-16(9-7-15)27(20,23)24/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,22)(H2,20,23,24)
InChIKeyPGHWZLAMPUUZAZ-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.10
Rot. Bonds9

About N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide

N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide (PubChem CID 26851304) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide
PubChem CID26851304
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1OCC
InChIInChI=1S/C19H24N2O5S/c1-3-25-17-10-5-14(13-18(17)26-4-2)11-12-21-19(22)15-6-8-16(9-7-15)27(20,23)24/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,22)(H2,20,23,24)
InChIKeyPGHWZLAMPUUZAZ-UHFFFAOYSA-N
XLogP2.10
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119264756
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 27259975
1-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111245766
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 26120167
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55488337
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 17371674
N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-4-nitrobenzamide
CID 8781324
N-[2-(3,4-diethoxyphenyl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134030458
N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitrobenzamide
CID 8781305

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide (CID 26851304) is N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide is CCOc1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide?
The InChIKey is PGHWZLAMPUUZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-3-25-17-10-5-14(13-18(17)26-4-2)11-12-21-19(22)15-6-8-16(9-7-15)27(20,23)24/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,22)(H2,20,23,24).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide has a molecular weight of 392.48 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 26851304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).