N-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide

C18H22N2O4S — CID 28570644

IUPACN-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide
SMILESCCOc1ccccc1CNC(=O)c1cccc(NS(C)(=O)=O)c1C
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-11-6-5-8-14(17)12-19-18(21)15-9-7-10-16(13(15)2)20-25(3,22)23/h5-11,20H,4,12H2,1-3H3,(H,19,21)
InChIKeyBLJPYXBNURXVKN-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.70
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide

N-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide (PubChem CID 28570644) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide
PubChem CID28570644
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide
SMILESCCOc1ccccc1CNC(=O)c1cccc(NS(C)(=O)=O)c1C
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-11-6-5-8-14(17)12-19-18(21)15-9-7-10-16(13(15)2)20-25(3,22)23/h5-11,20H,4,12H2,1-3H3,(H,19,21)
InChIKeyBLJPYXBNURXVKN-UHFFFAOYSA-N
XLogP2.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 46476558
3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide
CID 92675351
2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
5-(diethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-2-methylbenzamide
CID 60565590
N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide
CID 71822129
N-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide
CID 53285872
2-amino-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334706
N-[1-(4-ethoxyphenyl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide
CID 43907517
3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide
CID 41454413
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350
N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 18081414
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide (CID 28570644) is N-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide is CCOc1ccccc1CNC(=O)c1cccc(NS(C)(=O)=O)c1C.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide?
The InChIKey is BLJPYXBNURXVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-24-17-11-6-5-8-14(17)12-19-18(21)15-9-7-10-16(13(15)2)20-25(3,22)23/h5-11,20H,4,12H2,1-3H3,(H,19,21).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide?
N-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide has a molecular weight of 362.45 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-3-(methanesulfonamido)-2-methylbenzamide is sourced from PubChem (CID 28570644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).