N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide

C20H26N2O4S — CID 55580213

IUPACN-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C20H26N2O4S/c1-14(2)21-27(24,25)17-12-10-16(11-13-17)20(23)22(4)15(3)18-8-6-7-9-19(18)26-5/h6-15,21H,1-5H3
InChIKeyKTJQWCLUOXALCH-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.22
Rot. Bonds7

About N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 55580213) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID55580213
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C20H26N2O4S/c1-14(2)21-27(24,25)17-12-10-16(11-13-17)20(23)22(4)15(3)18-8-6-7-9-19(18)26-5/h6-15,21H,1-5H3
InChIKeyKTJQWCLUOXALCH-UHFFFAOYSA-N
XLogP3.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 46588331
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55594079
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55579375
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 46580501
N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 134054323
4-benzamido-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 42953411
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 39687761
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 46591499
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 43873806
3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide
CID 55580512
4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 46522380

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide (CID 55580213) is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide is COc1ccccc1C(C)N(C)C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is KTJQWCLUOXALCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14(2)21-27(24,25)17-12-10-16(11-13-17)20(23)22(4)15(3)18-8-6-7-9-19(18)26-5/h6-15,21H,1-5H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide?
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 390.51 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55580213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).