N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide

C20H26N2O4S — CID 26994635

IUPACN-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCc1ccc(OCCN(C)C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1
InChIInChI=1S/C20H26N2O4S/c1-15(2)21-27(24,25)19-7-5-6-17(14-19)20(23)22(4)12-13-26-18-10-8-16(3)9-11-18/h5-11,14-15,21H,12-13H2,1-4H3
InChIKeyROJSZSVUHNRUEW-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.83
Rot. Bonds8

About N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide

N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 26994635) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID26994635
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCc1ccc(OCCN(C)C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1
InChIInChI=1S/C20H26N2O4S/c1-15(2)21-27(24,25)19-7-5-6-17(14-19)20(23)22(4)12-13-26-18-10-8-16(3)9-11-18/h5-11,14-15,21H,12-13H2,1-4H3
InChIKeyROJSZSVUHNRUEW-UHFFFAOYSA-N
XLogP2.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 26960465
3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517219
N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 24517235
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 27822055
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 55348807
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 27034051
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 26826237
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 9479566
3-[methyl-(4-methylphenyl)sulfamoyl]-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 38448547
4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 24517356
N-(2-anilino-2-oxoethyl)-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46415007

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide (CID 26994635) is N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide is Cc1ccc(OCCN(C)C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is ROJSZSVUHNRUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15(2)21-27(24,25)19-7-5-6-17(14-19)20(23)22(4)12-13-26-18-10-8-16(3)9-11-18/h5-11,14-15,21H,12-13H2,1-4H3.
What are the key properties of N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide?
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 390.51 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 26994635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).