N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide

C19H24N2O4S — CID 39320103

IUPACN-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)N(C)CCOc2ccccc2)c1
InChIInChI=1S/C19H24N2O4S/c1-3-14-26(23,24)20-17-9-7-8-16(15-17)19(22)21(2)12-13-25-18-10-5-4-6-11-18/h4-11,15,20H,3,12-14H2,1-2H3
InChIKeyXHTZFOXAHLWKPA-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.99
Rot. Bonds9

About N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide

N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide (PubChem CID 39320103) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide
PubChem CID39320103
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)N(C)CCOc2ccccc2)c1
InChIInChI=1S/C19H24N2O4S/c1-3-14-26(23,24)20-17-9-7-8-16(15-17)19(22)21(2)12-13-25-18-10-5-4-6-11-18/h4-11,15,20H,3,12-14H2,1-2H3
InChIKeyXHTZFOXAHLWKPA-UHFFFAOYSA-N
XLogP2.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543
N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31470074
N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18119830
N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 27822055
N-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide
CID 37137902
N-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide
CID 36715347
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 26980104
3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517219
3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 9225229
N-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide
CID 36655501
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 46798216
3-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 31213484

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide (CID 39320103) is N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)N(C)CCOc2ccccc2)c1.
What is the InChIKey of N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide?
The InChIKey is XHTZFOXAHLWKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-3-14-26(23,24)20-17-9-7-8-16(15-17)19(22)21(2)12-13-25-18-10-5-4-6-11-18/h4-11,15,20H,3,12-14H2,1-2H3.
What are the key properties of N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide?
N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide has a molecular weight of 376.48 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 39320103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).