N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide

C19H24N2O5S — CID 42935570

IUPACN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H24N2O5S/c1-14(26-17-11-9-16(25-4)10-12-17)19(22)20-13-15-7-5-6-8-18(15)27(23,24)21(2)3/h5-12,14H,13H2,1-4H3,(H,20,22)
InChIKeyXSMVXHZWDGPTOL-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.03
Rot. Bonds8

About N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 42935570) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID42935570
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H24N2O5S/c1-14(26-17-11-9-16(25-4)10-12-17)19(22)20-13-15-7-5-6-8-18(15)27(23,24)21(2)3/h5-12,14H,13H2,1-4H3,(H,20,22)
InChIKeyXSMVXHZWDGPTOL-UHFFFAOYSA-N
XLogP2.03
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 26060329
4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 26060041
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 94472552
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(4-methoxyphenyl)butyl]-2-methylguanidine
CID 111641284
2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 51327763
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine
CID 111678220
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate
CID 55525104
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate
CID 55517677
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 33457323
(2S)-2-(4-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 94049685

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide (CID 42935570) is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is XSMVXHZWDGPTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-14(26-17-11-9-16(25-4)10-12-17)19(22)20-13-15-7-5-6-8-18(15)27(23,24)21(2)3/h5-12,14H,13H2,1-4H3,(H,20,22).
What are the key properties of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide?
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 392.48 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 42935570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).