N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

C20H26N2O4S — CID 51187566

IUPACN-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCCC(NC(=O)CCc1ccc(S(=O)(=O)NC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-19(16-8-10-17(26-3)11-9-16)22-20(23)14-7-15-5-12-18(13-6-15)27(24,25)21-2/h5-6,8-13,19,21H,4,7,14H2,1-3H3,(H,22,23)
InChIKeyQWELPKCOPIOHGX-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.80
Rot. Bonds9

About N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 51187566) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID51187566
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCCC(NC(=O)CCc1ccc(S(=O)(=O)NC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-19(16-8-10-17(26-3)11-9-16)22-20(23)14-7-15-5-12-18(13-6-15)27(24,25)21-2/h5-6,8-13,19,21H,4,7,14H2,1-3H3,(H,22,23)
InChIKeyQWELPKCOPIOHGX-UHFFFAOYSA-N
XLogP2.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100592426
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 43017141
N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930
N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51181244
(2S,3S)-3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]pentanoic acid
CID 119193799
2-(4-ethylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133184871
3-(3-fluorophenyl)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 43035596
2-(4-hydroxyphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 78807011
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133158339
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18104745
3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid
CID 45436465

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 51187566) is N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is CCC(NC(=O)CCc1ccc(S(=O)(=O)NC)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is QWELPKCOPIOHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-19(16-8-10-17(26-3)11-9-16)22-20(23)14-7-15-5-12-18(13-6-15)27(24,25)21-2/h5-6,8-13,19,21H,4,7,14H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 390.51 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 51187566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).