4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide

C19H24N2O4S — CID 27021904

IUPAC4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c1
InChIInChI=1S/C19H24N2O4S/c1-15-4-3-5-18(14-15)25-13-12-20-19(22)17-8-6-16(7-9-17)10-11-21-26(2,23)24/h3-9,14,21H,10-13H2,1-2H3,(H,20,22)
InChIKeyRUHLLQUBYOHGDX-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.90
Rot. Bonds9

About 4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide

4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 27021904) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID27021904
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c1
InChIInChI=1S/C19H24N2O4S/c1-15-4-3-5-18(14-15)25-13-12-20-19(22)17-8-6-16(7-9-17)10-11-21-26(2,23)24/h3-9,14,21H,10-13H2,1-2H3,(H,20,22)
InChIKeyRUHLLQUBYOHGDX-UHFFFAOYSA-N
XLogP1.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 102851528
4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 100506728
N-[2-(3-methylphenoxy)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27859309
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 27859389
N-[3-(3-methylphenoxy)propyl]-3-(methylsulfonylmethyl)benzamide
CID 27040363
6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 18148810
N-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide
CID 24533410
4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
CID 55706676
4-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 167811683
N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30853178
6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 62072454

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 27021904) is 4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide is Cc1cccc(OCCNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c1.
What is the InChIKey of 4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is RUHLLQUBYOHGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15-4-3-5-18(14-15)25-13-12-20-19(22)17-8-6-16(7-9-17)10-11-21-26(2,23)24/h3-9,14,21H,10-13H2,1-2H3,(H,20,22).
What are the key properties of 4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide?
4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 376.48 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 27021904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).