N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide

C20H26N2O5S — CID 8820023

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H26N2O5S/c1-6-22(14-15-7-12-18(26-4)19(13-15)27-5)20(23)16-8-10-17(11-9-16)28(24,25)21(2)3/h7-13H,6,14H2,1-5H3
InChIKeyLFTAZXNKEZGEOT-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.62
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide

N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide (PubChem CID 8820023) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide
PubChem CID8820023
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H26N2O5S/c1-6-22(14-15-7-12-18(26-4)19(13-15)27-5)20(23)16-8-10-17(11-9-16)28(24,25)21(2)3/h7-13H,6,14H2,1-5H3
InChIKeyLFTAZXNKEZGEOT-UHFFFAOYSA-N
XLogP2.62
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24548544
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(methylsulfonylmethyl)benzamide
CID 28546925
4-bromo-3-(dimethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655936
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide
CID 126388487
N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide
CID 78808460
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide
CID 31443168
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24655921
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-nitrobenzamide
CID 28546320
N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide
CID 8801363
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655945
3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 24513203

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide (CID 8820023) is N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide?
The InChIKey is LFTAZXNKEZGEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-6-22(14-15-7-12-18(26-4)19(13-15)27-5)20(23)16-8-10-17(11-9-16)28(24,25)21(2)3/h7-13H,6,14H2,1-5H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide has a molecular weight of 406.50 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide is sourced from PubChem (CID 8820023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).