4-(4-methoxyphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide

C19H22N2O5S — CID 49018701

IUPAC4-(4-methoxyphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide
SMILESCOc1ccc(C(=O)CCC(=O)NCCS(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-26-17-9-7-15(8-10-17)18(22)11-12-19(23)20-13-14-27(24,25)21-16-5-3-2-4-6-16/h2-10,21H,11-14H2,1H3,(H,20,23)
InChIKeyAXMDRPFNOVRJPF-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.22
Rot. Bonds10

About 4-(4-methoxyphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide

4-(4-methoxyphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide (PubChem CID 49018701) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide
PubChem CID49018701
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name4-(4-methoxyphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide
SMILESCOc1ccc(C(=O)CCC(=O)NCCS(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-26-17-9-7-15(8-10-17)18(22)11-12-19(23)20-13-14-27(24,25)21-16-5-3-2-4-6-16/h2-10,21H,11-14H2,1H3,(H,20,23)
InChIKeyAXMDRPFNOVRJPF-UHFFFAOYSA-N
XLogP2.22
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(phenylsulfamoyl)ethyl]acetamide
CID 110601294
4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 110606798
N-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride
CID 119528417
N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110609779
3-anilino-1-(4-methoxyphenyl)propan-1-one
CID 766931
N-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride
CID 119506776
4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide
CID 110418794
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride
CID 119528324
5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
CID 110306650
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
CID 110406744
N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 84569328

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide?
The IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide (CID 49018701) is 4-(4-methoxyphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide?
The canonical SMILES for 4-(4-methoxyphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide is COc1ccc(C(=O)CCC(=O)NCCS(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide?
The InChIKey is AXMDRPFNOVRJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-26-17-9-7-15(8-10-17)18(22)11-12-19(23)20-13-14-27(24,25)21-16-5-3-2-4-6-16/h2-10,21H,11-14H2,1H3,(H,20,23).
What are the key properties of 4-(4-methoxyphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide?
4-(4-methoxyphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide has a molecular weight of 390.46 g/mol, XLogP of 2.22, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide is sourced from PubChem (CID 49018701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).