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

C22H30N2O4S — CID 43873798

IUPACN-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCOc1ccccc1C(C)NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1
InChIInChI=1S/C22H30N2O4S/c1-16(2)15-23-29(26,27)19-12-9-18(10-13-19)11-14-22(25)24-17(3)20-7-5-6-8-21(20)28-4/h5-10,12-13,16-17,23H,11,14-15H2,1-4H3,(H,24,25)
InChIKeySJGLLRQLKWEVNC-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.44
Rot. Bonds10

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

N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (PubChem CID 43873798) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
PubChem CID43873798
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCOc1ccccc1C(C)NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1
InChIInChI=1S/C22H30N2O4S/c1-16(2)15-23-29(26,27)19-12-9-18(10-13-19)11-14-22(25)24-17(3)20-7-5-6-8-21(20)28-4/h5-10,12-13,16-17,23H,11,14-15H2,1-4H3,(H,24,25)
InChIKeySJGLLRQLKWEVNC-UHFFFAOYSA-N
XLogP3.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 43873806
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-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133160279
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2950024
N-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 1211041
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 43906454
N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 1211084
N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 5055466
N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007316
3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 895367
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-(2-methylpropylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (CID 43873798) is N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is COc1ccccc1C(C)NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The InChIKey is SJGLLRQLKWEVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-16(2)15-23-29(26,27)19-12-9-18(10-13-19)11-14-22(25)24-17(3)20-7-5-6-8-21(20)28-4/h5-10,12-13,16-17,23H,11,14-15H2,1-4H3,(H,24,25).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide has a molecular weight of 418.56 g/mol, XLogP of 3.44, 10 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-(2-methylpropylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 43873798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).