3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide

C21H28N2O3S — CID 30402388

IUPAC3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C21H28N2O3S/c1-14-12-16(3)20(13-15(14)2)17(4)23-21(24)11-8-18-6-9-19(10-7-18)27(25,26)22-5/h6-7,9-10,12-13,17,22H,8,11H2,1-5H3,(H,23,24)/t17-/m1/s1
InChIKeyUROLZSMDZSPQLJ-QGZVFWFLSA-N
MW388.53 g/mol
LogP3.33
Rot. Bonds7

About 3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide

3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide (PubChem CID 30402388) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
PubChem CID30402388
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C21H28N2O3S/c1-14-12-16(3)20(13-15(14)2)17(4)23-21(24)11-8-18-6-9-19(10-7-18)27(25,26)22-5/h6-7,9-10,12-13,17,22H,8,11H2,1-5H3,(H,23,24)/t17-/m1/s1
InChIKeyUROLZSMDZSPQLJ-QGZVFWFLSA-N
XLogP3.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(propan-2-ylsulfamoyl)phenyl]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402312
3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402364
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 43906454
N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007316
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402422
N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51181244
2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119225063
3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]butanoic acid
CID 119169867
3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43873885
(2S,3S)-3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]pentanoic acid
CID 119193799
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 43873798

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide (CID 30402388) is 3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1.
What is the InChIKey of 3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The InChIKey is UROLZSMDZSPQLJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-14-12-16(3)20(13-15(14)2)17(4)23-21(24)11-8-18-6-9-19(10-7-18)27(25,26)22-5/h6-7,9-10,12-13,17,22H,8,11H2,1-5H3,(H,23,24)/t17-/m1/s1.
What are the key properties of 3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide has a molecular weight of 388.53 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 30402388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).