4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide

C18H22N2O4S — CID 46479173

IUPAC4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(COC)c2)cc1
InChIInChI=1S/C18H22N2O4S/c1-3-20-25(22,23)17-9-7-16(8-10-17)18(21)19-12-14-5-4-6-15(11-14)13-24-2/h4-11,20H,3,12-13H2,1-2H3,(H,19,21)
InChIKeySDTUSJDBAVAEFX-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.06
Rot. Bonds8

About 4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide

4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide (PubChem CID 46479173) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
PubChem CID46479173
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(COC)c2)cc1
InChIInChI=1S/C18H22N2O4S/c1-3-20-25(22,23)17-9-7-16(8-10-17)18(21)19-12-14-5-4-6-15(11-14)13-24-2/h4-11,20H,3,12-13H2,1-2H3,(H,19,21)
InChIKeySDTUSJDBAVAEFX-UHFFFAOYSA-N
XLogP2.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate
CID 55846819
N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55727615
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55727433
3-ethoxy-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479176
1-benzyl-3-[[4-(ethylsulfamoyl)benzoyl]amino]thiourea
CID 35785840
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
N-[(3-methylphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 38295775
3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39576293
N-[[3-(methoxymethyl)phenyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55727586
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 61003064

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide (CID 46479173) is 4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide is CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(COC)c2)cc1.
What is the InChIKey of 4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
The InChIKey is SDTUSJDBAVAEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-3-20-25(22,23)17-9-7-16(8-10-17)18(21)19-12-14-5-4-6-15(11-14)13-24-2/h4-11,20H,3,12-13H2,1-2H3,(H,19,21).
What are the key properties of 4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide has a molecular weight of 362.45 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 46479173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).