N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

C20H26N2O3S — CID 51181244

IUPACN-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCCc1ccc(C(C)NC(=O)CCc2ccc(S(=O)(=O)NC)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-16-5-10-18(11-6-16)15(2)22-20(23)14-9-17-7-12-19(13-8-17)26(24,25)21-3/h5-8,10-13,15,21H,4,9,14H2,1-3H3,(H,22,23)
InChIKeyJLBRIRSQQBAIFF-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.97
Rot. Bonds8

About N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 51181244) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID51181244
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCCc1ccc(C(C)NC(=O)CCc2ccc(S(=O)(=O)NC)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-16-5-10-18(11-6-16)15(2)22-20(23)14-9-17-7-12-19(13-8-17)26(24,25)21-3/h5-8,10-13,15,21H,4,9,14H2,1-3H3,(H,22,23)
InChIKeyJLBRIRSQQBAIFF-UHFFFAOYSA-N
XLogP2.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43873885
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 127122521
2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119225063
3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402388
3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28557055
3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]butanoic acid
CID 119169867
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 30402368
N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 28557137
(2S,3S)-3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]pentanoic acid
CID 119193799
N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007316
N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18104745
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55947271

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 51181244) is N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is CCc1ccc(C(C)NC(=O)CCc2ccc(S(=O)(=O)NC)cc2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is JLBRIRSQQBAIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-4-16-5-10-18(11-6-16)15(2)22-20(23)14-9-17-7-12-19(13-8-17)26(24,25)21-3/h5-8,10-13,15,21H,4,9,14H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 374.51 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 51181244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).