N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C21H28N2O4S — CID 43873806

IUPACN-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCOc1ccccc1C(C)NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C21H28N2O4S/c1-15(2)23-28(25,26)18-12-9-17(10-13-18)11-14-21(24)22-16(3)19-7-5-6-8-20(19)27-4/h5-10,12-13,15-16,23H,11,14H2,1-4H3,(H,22,24)
InChIKeyBCUPFCKVAYBAGZ-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.19
Rot. Bonds9

About N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 43873806) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID43873806
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCOc1ccccc1C(C)NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C21H28N2O4S/c1-15(2)23-28(25,26)18-12-9-17(10-13-18)11-14-21(24)22-16(3)19-7-5-6-8-20(19)27-4/h5-10,12-13,15-16,23H,11,14H2,1-4H3,(H,22,24)
InChIKeyBCUPFCKVAYBAGZ-UHFFFAOYSA-N
XLogP3.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 43873798
3-[4-(cyclohexylsulfamoyl)phenyl]-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 43873814
3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 28557375
3-[4-(propan-2-ylsulfamoyl)phenyl]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402312
3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133160279
N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007316
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 92681993
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873243
N-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 133239074
N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 5211556
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 55580213
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 43873806) is N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is COc1ccccc1C(C)NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is BCUPFCKVAYBAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-15(2)23-28(25,26)18-12-9-17(10-13-18)11-14-21(24)22-16(3)19-7-5-6-8-20(19)27-4/h5-10,12-13,15-16,23H,11,14H2,1-4H3,(H,22,24).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 404.53 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 43873806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).