4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide

C22H28N2O5S — CID 108807460

IUPAC4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(S(=O)(=O)NCC(C)C)cc1
InChIInChI=1S/C22H28N2O5S/c1-15(2)14-23-30(27,28)18-8-6-17(7-9-18)24-22(26)12-10-20(25)19-13-16(3)5-11-21(19)29-4/h5-9,11,13,15,23H,10,12,14H2,1-4H3,(H,24,26)
InChIKeyBHVRVGWDCMPQER-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.54
Rot. Bonds10

About 4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide

4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide (PubChem CID 108807460) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide
PubChem CID108807460
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(S(=O)(=O)NCC(C)C)cc1
InChIInChI=1S/C22H28N2O5S/c1-15(2)14-23-30(27,28)18-8-6-17(7-9-18)24-22(26)12-10-20(25)19-13-16(3)5-11-21(19)29-4/h5-9,11,13,15,23H,10,12,14H2,1-4H3,(H,24,26)
InChIKeyBHVRVGWDCMPQER-UHFFFAOYSA-N
XLogP3.54
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 108807471
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 108807479
N-[4-(dimethylamino)phenyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796073
4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 108796107
N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 5055466
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 109058971
N-(4-methylphenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126212360
N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795963
N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108807727
butyl 4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoate
CID 108807478
2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108807431
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide
CID 18107404

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide (CID 108807460) is 4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide is COc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(S(=O)(=O)NCC(C)C)cc1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide?
The InChIKey is BHVRVGWDCMPQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-15(2)14-23-30(27,28)18-8-6-17(7-9-18)24-22(26)12-10-20(25)19-13-16(3)5-11-21(19)29-4/h5-9,11,13,15,23H,10,12,14H2,1-4H3,(H,24,26).
What are the key properties of 4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide?
4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide has a molecular weight of 432.54 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 108807460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).