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

C20H26N2O4S — CID 1211041

IUPACN-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCOc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c1
InChIInChI=1S/C20H26N2O4S/c1-15(2)14-21-27(24,25)19-10-7-16(8-11-19)9-12-20(23)22-17-5-4-6-18(13-17)26-3/h4-8,10-11,13,15,21H,9,12,14H2,1-3H3,(H,22,23)
InChIKeyFOXSXLIJDYQVDZ-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.20
Rot. Bonds9

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

N-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (PubChem CID 1211041) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
PubChem CID1211041
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCOc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c1
InChIInChI=1S/C20H26N2O4S/c1-15(2)14-21-27(24,25)19-10-7-16(8-11-19)9-12-20(23)22-17-5-4-6-18(13-17)26-3/h4-8,10-11,13,15,21H,9,12,14H2,1-3H3,(H,22,23)
InChIKeyFOXSXLIJDYQVDZ-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide
CID 126185320
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 43873798
3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide
CID 17192407
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
N-(1,3-benzodioxol-5-yl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2200896
2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998688
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55900939
N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3627107
2-[(4-tert-butylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998694
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (CID 1211041) is N-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is COc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The InChIKey is FOXSXLIJDYQVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15(2)14-21-27(24,25)19-10-7-16(8-11-19)9-12-20(23)22-17-5-4-6-18(13-17)26-3/h4-8,10-11,13,15,21H,9,12,14H2,1-3H3,(H,22,23).
What are the key properties of N-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
N-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide has a molecular weight of 390.51 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1211041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).